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EC number: 229-100-4 | CAS number: 6410-30-6
- 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
The skin sensitization potential of N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) was estimated to be not sensitizing to the skin of female guinea pigs. Based on the estimated result N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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 v3.4 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.4
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Species:
- guinea pig
- Strain:
- not specified
- Sex:
- female
- Details on test animals and environmental conditions:
- no data available
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of induction:
- not specified
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 20
- Details on study design:
- no data available
- Challenge controls:
- not completed
- Positive control substance(s):
- not specified
- Positive control results:
- no data available
- Other effects / acceptance of results:
- no data available
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- not specified
- Remarks on result:
- no indication of skin sensitisation
- Cellular proliferation data / Observations:
- no data available
- Interpretation of results:
- other: not sensitzing
- Conclusions:
- N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide was predicted to be non sensitizing to the skin of female guinea pigs.
- Executive summary:
The skin sensitization potential of N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) was estimated to be not sensitizing to the skin of female guinea pigs. Based on the estimated result N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
and Aminoalkylamine Side Chain by DNA binding by OASIS v.1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Aromatic azo AND SN1 >>
Nitrenium Ion formation >> Aromatic nitro by DNA binding by OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides AND Acylation >> Direct
acylation involving a leaving group AND Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides AND Acylation >>
Ester aminolysis AND Acylation >> Ester aminolysis >> Amides AND AN2 AND
AN2 >> Michael-type addition to quinoid structures AND AN2 >>
Michael-type addition to quinoid structures >> Carboxylic Acid Amides
by Protein binding by OASIS v1.4
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Amides AND Phenol Amines AND
Phenols by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides AND Acylation >> Direct
acylation involving a leaving group AND Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides AND Acylation >>
Ester aminolysis AND Acylation >> Ester aminolysis >> Amides AND AN2 AND
AN2 >> Michael-type addition to quinoid structures AND AN2 >>
Michael-type addition to quinoid structures >> Carboxylic Acid Amides
by Protein binding by OASIS v1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation >> Acylation involving
an activated (glucuronidated) ester group OR Acylation >> Acylation
involving an activated (glucuronidated) ester group >> Arenecarboxylic
Acid Esters OR Acylation >> Direct acylation involving a leaving group
>> Anhydrides (sulphur analogues of anhydrides) OR Acylation >> Direct
acylation involving a leaving group >> N-Haloacylamides OR Acylation >>
Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or
thiolysis >> Activated aryl esters OR Acylation >> Ring opening
acylation OR Acylation >> Ring opening acylation >> beta-Lactams OR AN2
>> Michael addition to activated double bonds OR AN2 >> Michael addition
to activated double bonds >> alpha,beta-Unsaturated Carbonyls and
Related Compounds OR AN2 >> Michael addition to activated double bonds
in heterocyclic ring systems OR AN2 >> Michael addition to activated
double bonds in heterocyclic ring systems >> Pyrazolone and Pyrazolidine
Derivatives OR AN2 >> Michael addition to alpha, beta-unsaturated acids
and esters OR AN2 >> Michael addition to alpha, beta-unsaturated acids
and esters >> alpha,beta-Unsaturated Carboxylic Acids and Esters OR AN2
>> Michael type addition to activated double bond of pyrimidine bases OR
AN2 >> Michael type addition to activated double bond of pyrimidine
bases >> Pyrimidines and Purines OR AN2 >> Michael type nucleophilic
addition and Schiff base formation OR AN2 >> Michael type nucleophilic
addition and Schiff base formation >> Halogenated Vicinal Hydrocarbons
OR AN2 >> Michael-type addition to quinoid structures >> N-Substituted
Aromatic Amines OR AN2 >> Michael-type addition to quinoid structures
>> Substituted Anilines OR AN2 >> Michael-type addition to quinoid
structures >> Substituted Phenols OR AN2 >> Schiff base formation with
carbonyl compounds (AN2) OR AN2 >> Schiff base formation with carbonyl
compounds (AN2) >> Pyrazolone and Pyrazolidine Derivatives OR AN2 >>
Schiff base formation with carbonyl group of pyrimidine and purine bases
OR AN2 >> Schiff base formation with carbonyl group of pyrimidine and
purine bases >> Pyrimidines and Purines OR Michael addition OR Michael
addition >> Michael addition on conjugated systems with electron
withdrawing group OR Michael addition >> Michael addition on conjugated
systems with electron withdrawing group >> alpha,beta-Carbonyl compounds
with polarized double bonds OR Michael addition >> Michael addition on
conjugated systems with electron withdrawing group >> Conjugated systems
with electron withdrawing groups OR No alert found OR Nucleophilic
addition OR Nucleophilic addition >> Addition to carbon-hetero double
bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds
>> Ketones OR Radical reactions OR Radical reactions >> ROS Generation
OR Radical reactions >> ROS Generation >> Sterically Hindered Piperidine
Derivatives OR Schiff base formation OR Schiff base formation >> Direct
acting Schiff base formers OR Schiff base formation >> Direct acting
Schiff base formers >> 1,2-Dicarbonyls and 1,3-Dicarbonyls OR Schiff
base formation >> Schiff base on pyrazolones and pyrazolidinones OR
Schiff base formation >> Schiff base on pyrazolones and pyrazolidinones
>> Pyrazolones and Pyrazolidinones OR SN2 OR SN2 >> Interchange reaction
with sulphur containing compounds OR SN2 >> Interchange reaction with
sulphur containing compounds >> Thiols and disulfide compounds OR SN2
>> Nucleophilic substitution at sp3 carbon atom OR SN2 >> Nucleophilic
substitution at sp3 carbon atom >> alpha-Activated haloalkanes OR SN2
>> Nucleophilic type substitution together with ring-opening of an
episulfonium ion intermediate OR SN2 >> Nucleophilic type substitution
together with ring-opening of an episulfonium ion intermediate >>
Halogenated Vicinal Hydrocarbons OR SN2 >> SN2 Reaction at a sp3 carbon
atom OR SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl
esters and thioesters OR SNAr OR SNAr >> Nucleophilic aromatic
substitution on activated aryl and heteroaryl compounds OR SNAr >>
Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds >> Activated aryl and heteroaryl compounds OR SNVinyl OR
SNVinyl >> SNVinyl at a vinylic (sp2) carbon atom OR SNVinyl >> SNVinyl
at a vinylic (sp2) carbon atom >> Vinyl type compounds with electron
withdrawing groups by Protein binding by OASIS v1.4
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "k"
Similarity
boundary:Target:
Cc1ccc(N(=O)=O)cc1N=Nc1c2ccccc2cc(C(=O)Nc2ccc(Cl)cc2)c1O
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Similarity
boundary:Target:
Cc1ccc(N(=O)=O)cc1N=Nc1c2ccccc2cc(C(=O)Nc2ccc(Cl)cc2)c1O
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 7.01
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 13.6
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization:
Various studieshas been investigated for the test chemicalN-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs and humans for target chemicalN-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) and its structurally similar read across substances2-Nitro-4’-hydroxydiphenylamine (CAS No: 54381-08-7) and Sudan III (CAS No: 85-86-9).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The skin sensitization potential of N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) was estimated to be not sensitizing to the skin of female guinea pigs. Based on the estimated result N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female guinea pigs.
The Cosmetic Ingredient Review Expert Panel (1988) conducted Skin sensitization studyfor structurally similar read across substance2-Nitro-4’-hydroxydiphenylamine (CAS No: 54381-08-7) on 10 female Hartley albino guinea pigs.In induction, the guinea pigs were received a single intradermal injection of 0.1%2-Nitro-4’-hydroxydiphenylamine inpropylene glycol and Freund's complete adjuvant (FCA). One week after injection, an occlusive patch containing 25% chemical in propylene glycol was applied to an area over the injection site.The test site was pretreated 24 hours earlier with 10% sodium lauryl sulfate.After a non treatment period of 2 weeks, animals were challenged to a previously untreated site at concentration of 25%in propylene glycol and later skin reactions were examined.Since there was no known evidence of contact sensitization, the chemical 2-Nitro-4’-hydroxydiphenylamine (CAS No: 54381-08-7)was considered to be not sensitizing to the skin of10 female Hartley albino guinea pigs.
The above results were further supported by the patch test study carried out by TAKEHITO KGZUKA, MINORU TASHIR0, SHIGEHARU SANO, KEIICHI FUJIMOTO,YUMI NAKAMURA, SEIICHI HASHIMOTO AND GEN NAKAMINAM (1980) forstructurally similar read across substance(CAS No: 85-86-9) in human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R. The patch of Sudan III was applied onto the back of each patient for24 hours by usingFinn Chambers® on Scanpor® (Epitest, Ltd. Oy) at a dose of 1% in petrolatum. After removal of patch, skin reactions were assessedaccording to the ICDRG classification for 2 days.Twenty-eight healthy female volunteers, aged 20 and 21, were also tested with the sample as controls. None gave a positive reaction.The negative skin sensitizing effects were observed in all treated patients. Thusthe test chemicalSudan III (CAS No: 85-86-9)was considered to be not sensitizingin human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R.
Thus on the basis of available data for thetarget chemicalN-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) and its structurally similar read across substances2-Nitro-4’-hydroxydiphenylamine (CAS No: 54381-08-7) and Sudan III (CAS No: 85-86-9),it can be concluded thatchemical N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) is unable to cause skin sensitization and considered as non skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test substance N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) and its structurally similar read across substances 2-Nitro-4’-hydroxydiphenylamine (CAS No: 54381-08-7) and Sudan III (CAS No: 85-86-9) were observed in various studies. From the results obtained from these studies it is concluded that the chemical N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No: 6410-30-6) is not likely to cause skin sensitization and hence can be classified as non skin sensitizer.
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