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EC number: 218-441-4 | CAS number: 2152-64-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Skin irritation:
The dermal irritation potential of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated to be not irritating to the skin of Himalayan rabbits. Based on the estimated result N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) can be considered to be not irritating to skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Eye irritation:
The ocular irritation potential of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated to be not irritating into the eyes of Himalayan rabbits. Based on the estimated result N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride
- Molecular formula: C37H29N3.ClH
- Molecular weight: 552.118 g/mol
- Smiles notation: C(\c1ccc(Nc2ccccc2)cc1)(c1ccc(Nc2ccccc2)cc1)=C1/C=C\C(=N/c2ccccc2)C=C1.Cl
- InChl: 1S/C37H29N3.ClH/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;/h1-27,38-39H;1H
- Substance type: Organic
- Physical state: solid - Species:
- rabbit
- Strain:
- Himalayan
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- semiocclusive
- Preparation of test site:
- shaved
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 72 hours
- Observation period:
- 72 hours
- Number of animals:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No skin irritation was observed.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated to be not irritating to the skin of Himalayan rabbits.
- Executive summary:
The dermal irritation potential of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated to be not irritating to the skin of Himalayan rabbits. Based on the estimated result N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) can be considered to be not irritating to skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and "p" )
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and "u" )
and "v" )
and ("w"
and "x" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alkene OR Aromatic amine OR Aryl
OR Azomethine OR Ketimine OR No functional group found by Organic
Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkene OR Aromatic amine OR Aryl
OR Azomethine OR Ketimine OR No functional group found OR Overlapping
groups by Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic
Carbon [C] OR Nitrogen, two or tree olefinic attach [>N-] OR No
functional group found OR Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR No
functional group found OR Secondary amine OR Secondary aromatic amine by
Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found AND Non-specific
AND Non-specific >> Incorporation into DNA/RNA, due to structural
analogy with nucleoside bases AND Non-specific >> Incorporation into
DNA/RNA, due to structural analogy with nucleoside bases >> Specific
Imine and Thione Derivatives AND Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Specific Imine and Thione Derivatives
AND SN1 AND SN1 >> Nucleophilic substitution on diazonium ions AND SN1
>> Nucleophilic substitution on diazonium ions >> Specific Imine and
Thione Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Carbamoylation after isocyanate
formation OR AN2 >> Carbamoylation after isocyanate formation >>
N-Hydroxylamines OR AN2 >> Nucleophilic addition to alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to
alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated
Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base
formation >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base
formation >> Dicarbonyl compounds OR Michael addition OR Michael
addition >> Quinone type compounds OR Michael addition >> Quinone type
compounds >> Quinone methides OR Radical >> Radical mechanism via ROS
formation (indirect) >> N-Hydroxylamines OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR Radical >> ROS formation after GSH depletion OR Radical >> ROS
formation after GSH depletion (indirect) OR Radical >> ROS formation
after GSH depletion (indirect) >> Quinoneimines OR Radical >> ROS
formation after GSH depletion >> Quinone methides OR SN1 >> Alkylation
after metabolically formed carbenium ion species OR SN1 >> Alkylation
after metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN1 >> Nucleophilic attack after metabolic
nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic
nitrenium ion formation >> N-Hydroxylamines OR SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Single-Ring
Substituted Primary Aromatic Amines OR SN2 OR SN2 >> Alkylation, direct
acting epoxides and related OR SN2 >> Alkylation, direct acting epoxides
and related >> Epoxides and Aziridines OR SN2 >> Alkylation, direct
acting epoxides and related after P450-mediated metabolic activation OR
SN2 >> Alkylation, direct acting epoxides and related after
P450-mediated metabolic activation >> Polycyclic Aromatic Hydrocarbon
Derivatives OR SN2 >> Direct acting epoxides formed after metabolic
activation OR SN2 >> Direct acting epoxides formed after metabolic
activation >> Quinoline Derivatives OR SN2 >> SN2 at an activated carbon
atom OR SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives
by DNA binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated ketones OR SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium
Ion formation >> Tertiary aromatic amine by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 AND Non
binder, non cyclic structure by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, without OH or NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Ketones OR Organic silicon
halides by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Exclusion rules not met AND Group All log Kow > 9 AND Group All
Melting Point > 200 C AND Group CN Aqueous Solubility < 0.0001 g/L AND
Group CN Aqueous Solubility < 0.1 g/L AND Group CN log Kow > 4.5 AND
Group CN log Kow > 5.5 AND Group CN Melting Point > 180 C AND Group CN
Molecular Weight > 290 g/mol AND Group CN Vapour Pressure < 0.001 Pa by
Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All log Kow <
-3.1 OR (!Undefined)Group All log Kow > 9 OR (!Undefined)Group All
Melting Point > 200 C OR (!Undefined)Group C Surface Tension > 62 mN/m
OR Group All log Kow < -3.1 OR Group C Aqueous Solubility < 0.0001 g/L
OR Group CHal log Kow > 4.5 OR Group CHal Melting Point > 65 C OR Group
CHal Molecular Weight > 280 g/mol OR Group CN Molecular Weight > 540
g/mol by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Not categorized by OECD HPV
Chemical Categories
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Amorphous silica silicates OR
Cadmium (oxide) OR Carbonate/Hydrocarbonate OR Chlorosilanes OR
Chromates OR Copper metal and copper compounds OR Iron salts OR Mono and
Di-butyltins OR Mono and Di-octyltins OR Nitrates OR Persulfates OR
Sodium chlorite/Chlorine dioxide OR Soluble silicates by OECD HPV
Chemical Categories
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as DSSTOX AND ECHA PR AND EINECS
AND NICNAS AND REACH ECB AND TSCA AND US HPV Challenge Program by
Inventory Affiliation
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as (N/A) OR Canada DSL OR COSING OR
HPVC OECD OR METI Japan by Inventory Affiliation
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] AND Aliphatic Nitrogen, two aromatic attach [-N-] AND
Aromatic Carbon [C] AND Nitrogen, two or tree olefinic attach [>N-] AND
No functional group found AND Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] AND Aliphatic Nitrogen, two aromatic attach [-N-] AND
Aromatic Carbon [C] AND Nitrogen, two or tree olefinic attach [>N-] AND
No functional group found AND Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.88
Domain
logical expression index: "x"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 13.4
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride
- Molecular formula: C37H29N3.ClH
- Molecular weight: 552.118 g/mol
- Smiles notation: C(\c1ccc(Nc2ccccc2)cc1)(c1ccc(Nc2ccccc2)cc1)=C1/C=C\C(=N/c2ccccc2)C=C1.Cl
- InChl: 1S/C37H29N3.ClH/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;/h1-27,38-39H;1H
- Substance type: Organic
- Physical state: solid - Species:
- rabbit
- Strain:
- Himalayan
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 72 hours
- Observation period (in vivo):
- 72 hours
- Duration of post- treatment incubation (in vitro):
- No data available
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No signs of eye irritation were seen in any animal.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated to be not irritating to the eyes of Himalayan rabbits. Based on the estimated result N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) can be considered to be not irritating to eye.
- Executive summary:
The ocular irritation potential of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) was estimated to be not irritating to the eyes of Himalayan rabbits. Based on the estimated result N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and "ac" )
and ("ad"
and (
not "ae")
)
)
and "af" )
and ("ag"
and "ah" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alkene OR Aromatic amine OR Aryl
OR Azomethine OR Ketimine OR No functional group found by Organic
Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkene OR Aromatic amine OR Aryl
OR Azomethine OR Ketimine OR No functional group found OR Overlapping
groups by Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic
Carbon [C] OR Nitrogen, two or tree olefinic attach [>N-] OR No
functional group found OR Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR No
functional group found OR Secondary amine OR Secondary aromatic amine by
Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 AND Non
binder, non cyclic structure by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or NH2 group OR Non binder, without OH or NH2
group OR Weak binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition OR Michael addition >>
Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes
OR Michael addition >> Polarised Alkenes-Michael addition >> Alpha,
beta- unsaturated ketones OR Schiff base formers OR Schiff base formers
>> Direct Acting Schiff Base Formers OR Schiff base formers >> Direct
Acting Schiff Base Formers >> Alpha-beta-dicarbonyl by DNA binding by
OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aldehydes OR Organic silicon
halides by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not categorized AND Tamoxifen
(Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aliphatic nitriles
(Hepatotoxicity) Rank B OR Aliphatic/Alicyclic hydrocarbons (Alpha
2u-globulin nephropathy) Rank C OR Organophosphates (Neurotoxicity) Rank
A OR Perhexiline (Hepatotoxicity) Alert OR Valproic acid
(Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Not categorized by OECD HPV
Chemical Categories
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alpha-olefins OR Amorphous
silica silicates OR C14+Aliphatics hydrocarbon solvents (less than 2
percent aromatics) OR C9-13 Aliphatics hydrocarbon solvents (less than 2
percent aromatics) OR Cadmium (oxide) OR Carbonate/Hydrocarbonate OR
Chlorosilanes OR Chromates OR Copper metal and copper compounds OR
Higher olefins OR Iron salts OR Nitrates OR Persulfates OR Sodium
chlorite/Chlorine dioxide OR Soluble silicates by OECD HPV Chemical
Categories
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as DSSTOX AND ECHA PR AND EINECS
AND NICNAS AND REACH ECB AND TSCA AND US HPV Challenge Program by
Inventory Affiliation
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as HPVC OECD by Inventory
Affiliation
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as DSSTOX AND ECHA PR AND EINECS
AND NICNAS AND REACH ECB AND TSCA AND US HPV Challenge Program by
Inventory Affiliation
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as METI Japan by Inventory
Affiliation
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as DSSTOX AND ECHA PR AND EINECS
AND NICNAS AND REACH ECB AND TSCA AND US HPV Challenge Program by
Inventory Affiliation
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as COSING by Inventory Affiliation
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as DSSTOX AND ECHA PR AND EINECS
AND NICNAS AND REACH ECB AND TSCA AND US HPV Challenge Program by
Inventory Affiliation
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Canada DSL by Inventory
Affiliation
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as DSSTOX AND ECHA PR AND EINECS
AND NICNAS AND REACH ECB AND TSCA AND US HPV Challenge Program by
Inventory Affiliation
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as (N/A) by Inventory Affiliation
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as (N/A) by Database Affiliation
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Phys-chem EPISUITE by Database
Affiliation
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as No alert found AND Non-specific
AND Non-specific >> Incorporation into DNA/RNA, due to structural
analogy with nucleoside bases AND Non-specific >> Incorporation into
DNA/RNA, due to structural analogy with nucleoside bases >> Specific
Imine and Thione Derivatives AND Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Specific Imine and Thione Derivatives
AND SN1 AND SN1 >> Nucleophilic substitution on diazonium ions AND SN1
>> Nucleophilic substitution on diazonium ions >> Specific Imine and
Thione Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines OR Radical >> Radical mechanism via ROS
formation (indirect) >> N-Hydroxylamines OR SN1 >> Nucleophilic attack
after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack
after metabolic nitrenium ion formation >> N-Hydroxylamines by DNA
binding by OASIS v.1.3
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
No functional group found AND Secondary amine AND Secondary aromatic
amine by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "ag"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.79
Domain
logical expression index: "ah"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 11
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9)to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) and its structurally similar read across substancesBasic Violet 3 (CAS No: 548-62-9)and Hexamethylcyclotrisiloxane (CAS No: 541-05-9).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) .The chemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) is estimated to be not irritating to skin of Himalayan rabbits.
The dermal irritation potential ofstructurally similar read across substanceBasic Violet 3 was assessed (Haskell Laboratory for Toxicology and Industrial medicine, Sustainability Support Services (Europe) AB has letter of access, 1974) in rabbits. 6 male albino rabbits were clipped free of hair on the trunk and lateral areas and placed in a FDA- type stocks. One inch sqaures of test material were applied to intact skin under 1inch*1inch gauze squares (double thickness). Rubber sheeting was loosely wrapped around the trunk and secured with an adhesive tape. After 24 hours, the rabbits were removed from the stocks and reactions were graded. Observations were also made at 48 hours. The observations were graded according to the system of the regulations of the Federal Hazardous Substances Act. Basic Violet 3 (CAS No: 548-62-9) failed to produce any dermal reactions in the rabbits. Hence, Basic Violet 3 was considered to be not irritating to rabbit skin
The above results were supported by the experimental study reported by OECD SIDS (2008) forstructurally similar read across substanceHexamethylcyclotrisiloxane (CAS No: 541-05-9) on single rabbits to determine its skin irritation efficacy. The abdomen of the rabbit was prepared for testing by shaving the application site. One side of the abdomen was manually abraded while the skin on the opposite was not. During the test, the 500mg (0.5g) of undiluted Hexamethylcyclotrisiloxane was applied daily for 10 days (excluding weekends) to each side of the shaved abdomen under semi-occlusive condition and later observed for skin reactions. The test material produced slight redness only. The study did not provide the severity score for redness or the time of its onset and reversibility. Hence the Hexamethylcyclotrisiloxane (CAS No: 541-05-9) was considered to be not irritating to the rabbit skin.
Thus on the basis of available data for the target chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) and its structurally similar read across substancesBasic Violet 3 (CAS No: 548-62-9)and Hexamethylcyclotrisiloxane (CAS No: 541-05-9),it can be concluded thatchemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) is unable to cause skin irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation:
In different studies,the test chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9)its structurally similar read across substances Octamethylcyclotetrasiloxane (CAS No: 556-67-2)and Hexamethylcyclotrisiloxane (CAS No: 541-05-9).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the eye irritation potential was estimated for test chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) .The chemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) is estimated to be not irritating to eye of Himalayan rabbits.
The SCIENTIFIC COMMITTEE ON CONSUMER PRODUCTS (SCCP, 2005) a Draize test ofstructurally similar read across substanceOctamethylcyclotetrasiloxane (CAS No: 556-67-2) on One male and one female New Zealand White rabbits to assess the degree of irritancy caused by the chemical. In this test, 100 µl neat octamethyltetracyclosiloxane was instilled into the conjunctival sac of one eye of each of the two rabbits and the lids were gently held together for about one second. The eyes were not rinsed after treatment. The other eye served as control. Eyes were examined at 1, 24, 48, 72 h and 7 days after application. Apart from hyperaemic vessels in the conjunctivae of one rabbit eye at one hour after application, which were resolved by 24 hours. Since the observed effects were cleared within 24 hours, the chemical Octamethylcyclotetrasiloxane (CAS No: 556-67-2) was considered as not irritating to the eye of New Zealand White rabbits.
The above results were supported by the experimental studies reported by OECD SIDS (2008) forstructurally similar read across substanceHexamethylcyclotrisiloxane (CAS No: 541-05-9) on single rabbit to determine its eye irritation efficacy. In this test, 0.1 ml of of undiluted Hexamethylcyclotrisiloxane was installed in each eye. Following instillation, one eye was washed and the other was not. The eyes were observed for 1, 2, 24, 48 and 168 hours. Since no eye irritation was observed the Hexamethylcyclotrisiloxane (CAS No: 541-05-9) was considered to be not irritating to the rabbit's eye.
Thus on the basis of available data for thetarget chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) and its structurally similar read across substancesOctamethylcyclotetrasiloxane (CAS No: 556-67-2)and Hexamethylcyclotrisiloxane (CAS No: 541-05-9),it can be concluded thatchemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) is unable to cause eye irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride is unlikely to cause skin and eye irritation. HenceN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No: 2152-64-9)can be classified under the category “Not Classified” for skin and eye as per CLP.
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