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EC number: 226-237-1 | CAS number: 5332-24-1
- 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 3-bromoquinoline (CAS No: 5332-24-1) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 3-bromoquinoline (CAS No: 5332-24-1) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 3-bromoquinoline (CAS No: 5332-24-1) can be considered to be irritating to skin and can be classified under the category “Category 2”as per CLP regulation.
Eye irritation:
The ocular irritation potential of 3-bromoquinoline (CAS No: 5332-24-1) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 3-bromoquinoline (CAS No: 5332-24-1) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 3-bromoquinoline (CAS No: 5332-24-1) can be considered to be irritating to eye and can be classified under the category “Category 2”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 : 3-Bromoquinoline
- Molecular formula : C9H6BrN
- Molecular weight : 208.057 g/mol
- Smiles notation : c12c(ncc(c1)Br)cccc2
- InChl : 1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
- Substance type: Organic
- Physical state: Liquid - Species:
- rabbit
- Strain:
- New Zealand White
- 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:
- 4 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:
- positive indication of irritation
- Irritant / corrosive response data:
- Severe skin irritation was observed in treated groups.
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- The chemical 3-bromoquinoline (CAS No: 5332-24-1) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 3-bromoquinoline (CAS No: 5332-24-1) can be considered to be irritating to skin.
- Executive summary:
The dermal irritation potential of 3-bromoquinoline (CAS No: 5332-24-1) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 3-bromoquinoline (CAS No: 5332-24-1) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 3-bromoquinoline (CAS No: 5332-24-1) can be considered to be irritating to skin and can be classified under the category“Category 2”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" )
and ("d"
and (
not "e")
)
)
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN2 AND SN2 >> Direct acting
epoxides formed after metabolic activation AND SN2 >> Direct acting
epoxides formed after metabolic activation >> Quinoline Derivatives AND
SN2 >> SN2 at an activated carbon atom AND SN2 >> SN2 at an activated
carbon atom >> Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Class 2 (less inert compounds)
by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Halopyrdines by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "d"
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: "e"
Referential
boundary: The
target chemical should be classified as Activated N-heterocycles OR
Aldehydes OR Aromatic amines OR Ketones OR Phenols OR Primary and
secondary aliphatic amines by Skin irritation/corrosion Inclusion rules
by BfR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 17 - Halogens Br AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 16 - Oxygen O OR Group 16
- Sulfur S OR Group 17 - Halogens Cl OR Group 17 - Halogens F by
Chemical elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl halide AND Overlapping groups AND Quinoline/ Isoquinoline by
Organic Functional groups (nested)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkyl arenes by Organic
Functional groups (nested)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl halide AND Overlapping groups AND Quinoline/ Isoquinoline by
Organic Functional groups (nested)
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aryl by Organic Functional
groups (nested)
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND Aromatic
Nitrogen AND Bromine, aromatic attach [-Br] AND Bromine, olefinic attach
[-Br] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US
EPA)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [-CH3] by
Organic functional groups (US EPA)
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.347
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.26
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (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 : 3-Bromoquinoline
- Molecular formula : C9H6BrN
- Molecular weight : 208.057 g/mol
- Smiles notation : c12c(ncc(c1)Br)cccc2
- InChl : 1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
- Substance type: Organic
- Physical state: Liquid - Species:
- rabbit
- Strain:
- New Zealand White
- 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:
- single application
- Observation period (in vivo):
- 48 hours
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 48 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- sever eye irritation was observed.
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- The chemical 3-bromoquinoline (CAS No: 5332-24-1) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 3-bromoquinoline (CAS No: 5332-24-1) can be considered to be irritating to eye.
- Executive summary:
The ocular irritation potential of 3-bromoquinoline (CAS No: 5332-24-1) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 3-bromoquinoline (CAS No: 5332-24-1) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 3-bromoquinoline (CAS No: 5332-24-1) can be considered to be irritating to eye and can be classified under the category“Category 2”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" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and "h" )
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "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 (
not "ad")
)
)
and ("ae"
and (
not "af")
)
)
and ("ag"
and (
not "ah")
)
)
and ("ai"
and (
not "aj")
)
)
and ("ak"
and "al" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN2 AND SN2 >> Direct acting
epoxides formed after metabolic activation AND SN2 >> Direct acting
epoxides formed after metabolic activation >> Quinoline Derivatives AND
SN2 >> SN2 at an activated carbon atom AND SN2 >> SN2 at an activated
carbon atom >> Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Class 2 (less inert compounds)
by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Halopyrdines by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Ac-SN2 OR Ac-SN2 >> Acylation
involving an activated (glucuronidated) carboxamide group OR Ac-SN2 >>
Acylation involving an activated (glucuronidated) carboxamide group >>
Carboxylic Acid Amines OR Ac-SN2 >> Acylation involving an activated
(glucuronidated) ester group OR Ac-SN2 >> Acylation involving an
activated (glucuronidated) ester group >> Arenecarboxylic Acid Esters OR
Ac-SN2 >> Direct acylation involving a leaving group OR Ac-SN2 >> Direct
acylation involving a leaving group >> Carboxylic Acid Amines OR AN2 OR
AN2 >> Michael addition to the quinoid type structures OR AN2 >> Michael
addition to the quinoid type structures >> Substituted Anilines OR AN2
>> Michael-type addition to quinoid structures OR AN2 >> Michael-type
addition to quinoid structures >> Carboxylic Acid Amines OR AN2 >>
Michael-type addition to quinoid structures >> Phenols OR AN2 >>
Nucleophilic addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles OR AN2 >> Nucleophilic addition to pyridonimine
tautomer of aminopyridoindoles or aminopyridoimidazoles >> Heterocyclic
Aromatic Amines OR Radical mechanism OR Radical mechanism >> ROS
generation and direct attack of hydroxyl radical to the C8 position of
nucleoside base OR Radical mechanism >> ROS generation and direct attack
of hydroxyl radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines OR SE reaction (CYP450-activated
heterocyclic amines) OR SE reaction (CYP450-activated heterocyclic
amines) >> Direct attack of arylnitrenium cation to the C8 position of
nucleoside base OR SE reaction (CYP450-activated heterocyclic amines) >>
Direct attack of arylnitrenium cation to the C8 position of nucleoside
base >> Heterocyclic Aromatic Amines OR SR reaction
(peroxidase-activated heterocyclic amines) OR SR reaction
(peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base OR SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding alerts for Chromosomal
aberration by OASIS v1.1
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Sulphonyl halides or cyanides OR Acylation
>> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides 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 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 >> Activated electrophilic ethenylarenes OR Nucleophilic addition
OR Nucleophilic addition >> Addition to carbon-hetero double bonds OR
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones OR SN2 OR SN2 >> Ring opening SN2 reaction OR SN2 >> Ring
opening SN2 reaction >> Epoxides, Aziridines and Sulfuranes 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
by Protein binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as tert-Butyl by Organic Functional
groups
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Precursors quinoid compounds by
Organic Functional groups
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Nitrobenzene by Organic
Functional groups
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND Aromatic
Nitrogen AND Bromine, aromatic attach [-Br] AND Bromine, olefinic attach
[-Br] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US
EPA)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND Aromatic
Nitrogen AND Bromine, aromatic attach [-Br] AND Bromine, olefinic attach
[-Br] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US
EPA)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Fluorine, olefinic attach [-F]
OR Hydroxy, aliphatic attach [-OH] by Organic functional groups (US EPA)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND Aromatic
Nitrogen AND Bromine, aromatic attach [-Br] AND Bromine, olefinic attach
[-Br] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US
EPA)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Ortho-alkoxy/thio, to one
aromatic N OR Ortho-amino pyridine by Organic functional groups (US EPA)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND Aromatic
Nitrogen AND Bromine, aromatic attach [-Br] AND Bromine, olefinic attach
[-Br] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US
EPA)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Oxygen, two olefinic attach
[-O-] OR Pyridine, non fused rings by Organic functional groups (US EPA)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aniline by Organic Functional
groups
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aromatic amine by Organic
Functional groups
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Carboxylic acid ester by Organic
Functional groups
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Ether by Organic Functional
groups
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Triazine by Organic Functional
groups
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 17 - Halogens Br AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as Group 17 - Halogens Cl by
Chemical elements
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Aromatic heterocyclic halide AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic AND Pyridine AND Quinoline/ Isoquinoline by
Organic Functional groups
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Cycloalkane by Organic
Functional groups
Domain
logical expression index: "ak"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.14
Domain
logical expression index: "al"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.42
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemical3-bromoquinoline (CAS No: 5332-24-1)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 chemical3-bromoquinoline (CAS No: 5332-24-1) and its structurally similar read across substancesQuinoline (CAS no: 91-22-5)and1,6-Diaminohexane (CAS no: 124-09-4).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;
The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated dermal irritation potential for test chemical3-bromoquinoline (CAS No: 5332-24-1). The test substance 3-bromoquinoline (CAS No: 5332-24-1) is estimated to be irritating to skin of New Zealand White Rabbits.
The IFA GESTIS (GESTIS SUBSTANCE Database (information system in hazardous substance of the Berufsgenossenscheftn, 2017) conducted skin irritation study of read across substance Quinoline (CAS no: 91-22-5) on rabbits that supports the above mentioned result. The chemical produced slight reddening after 24 hours when applied dermally. The resulted score was 4 out of maximum possible score of 10. Therefore on the basis of observations, the chemical Quinoline (CAS no: 91-22-5)was considered to be mildly irritating to the rabbits skin.
Another skin irritation study was reported for same read across substance Quinoline (CAS no: 91-22-5) by INVENTORY MULTI-TIERED ASSESSMENT AND PRIORITISATION (IMAP) – NICNAS { HUMAN HEALTH TIER II ASSESSMENT FOR Quinolines; INVENTORY MULTI-TIERED ASSESSMENT AND PRIORITISATION (IMAP) – NICNAS; 2017} on intact and abraded skin of six rabbits according to the US Code of Federal Regulations (CFR) Title 16, section 1500.41.In this test, 0.5 mL of quinoline was applied on intact and abraded skin for 24 hours under occlusive condition and the animals were observed for 72 hours. The erythema and oedema scores were 0.9/3 and 1.5/3, respectively, for intact and abraded skin after 24 hours. Since the observed effects were not reversible after 72 hours, the chemicalQuinoline (CAS no: 91-22-5)was considered to be irritating to the intact and abraded skin of rabbits.
The above results were further supported by the experimental dermal irritation study conducted by U.S. Environmental Protection Agency {High Production Volume (HPV) Challenge Program; 2017} for read across substance 1,6-Diaminohexane (CAS no: 124-09-4) on clipped intact skin of six rabbits to assess its skin irritation potential under occlusive condition.The test material was applied to the clipped intact skin of six rabbits, three as a powder and three as a 25% aqueous solution. The application site was occluded for 25 hours and the dressing was removed after 24 hours. Observations of skin irritation were conducted by the method of Draize at 1, 24, 48, 72, 120, and 168 hours after removal of the covering. All observations of the skin for the three animals exposed to the powder were rated an 8/8 at all the observation times. Animals exposed to the aqueous preparations were scored 2.6/8 (mean of three) at the 1-hour observation and 8/8 at all other observation times. Application of either solid or diluted solution was considered to cause a corrosive effect on the skin of rabbits after a 24-hour exposure period. Thus thetest material1,6-Diaminohexane (CAS no: 124-09-4)was considered to be corrosive as powder or as 25% aqueous solution.
Based on the available data for the target substance 3-bromoquinoline (CAS No: 5332-24-1) and its structurally similar read across substancesQuinoline (CAS no: 91-22-5)and1,6-Diaminohexane (CAS no: 124-09-4),it can be concluded thatchemical 3-bromoquinoline (CAS No: 5332-24-1)is able to cause skin irritation and considered as irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Eye irritation:
In different studies,test chemical3-bromoquinoline (CAS No: 5332-24-1)has been investigated for potential for ocular irritation to a greater or lesser extentThe studies are based on in vivo experiments in rabbits for target chemical3-bromoquinoline (CAS No: 5332-24-1)and its structurally similar read across substances3-hydroxynaphthalene-2-carboxylic acid (CAS No: 92-70-6) and Quinoline (CAS no: 91-22-5).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;
The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated an eye irritation potential for test chemical3-bromoquinoline (CAS No: 5332-24-1). The test substance 3-bromoquinoline (CAS No: 5332-24-1) is estimated to be irritating to eye of New Zealand White Rabbits.
The MAK Collection for Occupational Health and Safety {3-Hydroxy-2-naphthalin-carbonsäure [MAK Value Documentation in German language, 2006]. The MAK Collection for Occupational Health and Safety. 1–9. 2012.} and OECD SIDS{OECD SIDS; SIDS Initial Assessment Report For SIAM 19 Berlin, Germany; 19-22 October 2004} reportedan ocular irritation test of read across substance 3-hydroxynaphthalene-2-carboxylic acid (CAS No: 92-70-6) on rabbits in accordance with OECD Guide-line 405 "Acute Eye Irritation/Corrosion".During the test, about 100mg of (0.1ml) of chemical was moistened with Polyethylene Glycol 400 was installed into the eye of each of three rabbits for 24 hours and later eyes were rinsed. Theeyes were examined after 1, 24, 48, 72 hours and on day 7 and 14 after application according to Driaze method.One hour after application, swelling and conjunctival injections as well as secretion (clear, tinted by the test substance) were observed in all animals. At 24, 48 and 72 hours, conjunctivitis and diffuse corneal opacities were found. One animal showed iritis at 24 and 48 hours. 7 days after the application, corneal vascularization was observed in all animals. The Draize score was 1.1 out of a maximum of 4 for corneal opacity, 0.2 out of 2 for iritis, 1.9 out of 3 for conjunctivitis, and 1.3 out of 4 for conjunctival curling.Therefore on the basis of observations and mean scores, the chemical3-hydroxynaphthalene-2-carboxylic acid (CAS No: 92-70-6)was considered to be irritating to rabbits’ eye with the risk of serious eye damage.
The IFA GESTIS (GESTIS SUBSTANCE Database (information system in hazardous substance of the Berufsgenossenscheftn, 2017) conducted an eye irritation study of read across substance Quinoline (CAS no: 91-22-5) on rabbits that supports the above mentioned results. The rabbits produced score of 8 out of maximum possible score of 10 after 24 hours when one drop of chemical was installed into the eyes of each rabbit. Therefore on the basis of observations, the chemical Quinoline (CAS no: 91-22-5)was considered to be moderately irritating to the rabbits eyes.
The above results were further supported by another eye irritation study reported for same read across substance Quinoline (CAS no: 91-22-5) by INVENTORY MULTI-TIERED ASSESSMENT AND PRIORITISATION (IMAP) – NICNAS { HUMAN HEALTH TIER II ASSESSMENT FOR Quinolines; INVENTORY MULTI-TIERED ASSESSMENT AND PRIORITISATION (IMAP) – NICNAS; 2017} on six rabbits according to the US CFR Title 16, section 1500.42.In this test, 0.1 mL of quinoline was applied to one eye of each animal for 24 hours and the animals were observed for seven days. The irritation scores at 24–72 hours after application were 0.8/1 for corneal irritation, 0.5/1 for iris irritation, 2/3 for conjunctival redness and 2.2/3 for conjunctival chemosis. Since the observed effects were not reversible within the seven-day observation period, the chemicalQuinoline (CAS no: 91-22-5)was considered to be severely irritating to the eyes of six rabbits.
Based on the available data for the target substance 3-bromoquinoline (CAS No: 5332-24-1) and its structurally similar read across substances3-hydroxynaphthalene-2-carboxylic acid (CAS No: 92-70-6) and Quinoline (CAS no: 91-22-5),it can be concluded thatchemical 3-bromoquinoline (CAS No: 5332-24-1)is able to cause eye irritation and considered as irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemical3-bromoquinoline (CAS No: 5332-24-1) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicates that the test chemical 3-bromoquinoline (CAS No: 5332-24-1)is likely to cause skin and eye irritation. Hence3-bromoquinoline (CAS No: 5332-24-1) can be classified under the category “Category 2” for skin and eye as per CLP.
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