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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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3 with logKow as the primary descriptor.
- 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 - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 128.843 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for 3-Bromoquinoline on Pseudokirchneriella subcapitata in a 72 hour study was estimated to be 129 mg/L on the basis of effects on growth rate.
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 3-Bromoquinoline (CAS no. 5332 -24 -1). EC50 value was estimated to be 129 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance 3-Bromoquinoline is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average 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 (
not "i")
)
)
and "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 "x" )
)
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 Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Low reactive OR Low reactive >>
N-substituted aromatic amides OR Moderate reactive OR Moderate reactive
>> Activated 1,3,5-triazine derivatives OR Moderate reactive >> Glycidyl
ether epoxides by DPRA Cysteine peptide depletion
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Basesurface narcotics by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aromatic bromide [-Br] AND
Aromatic-H AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aromatic-CH3 by Bioaccumulation
- metabolism alerts
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic bromide [-Br] AND
Aromatic-H AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aromatic-CH by Bioaccumulation -
metabolism alerts
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aromatic bromide [-Br] AND
Aromatic-H AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aromatic chloride [-CL] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aromatic bromide [-Br] AND
Aromatic-H AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Biphenyl OR Carbon with 4 single
bonds & no hydrogens by Bioaccumulation - metabolism alerts
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aromatic bromide [-Br] AND
Aromatic-H AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as -CH2- [linear] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "u"
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: "v"
Referential
boundary: The
target chemical should be classified as Ether by Organic Functional
groups (nested)
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.237
Domain
logical expression index: "x"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.42
Description of key information
Using the OECD QSAR toolbox version 3.3 (2017) with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 3-Bromoquinoline (CAS no. 5332 -24 -1). EC50 value was estimated to be 129 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance 3-Bromoquinoline is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 129 mg/L
Additional information
Predicted data for the target chemical 3-Bromoquinoline (CAS No. 5332-24-1) and various supporting weight of evidence studies for its closest read across substances with logKow as the primary descriptorwere reviewed for toxicity to aquatic algae and cyanobacteria endpoint to summarize the following information:
Short term toxicity on aquatic algae and cyanobacteria of target chemical3-Bromoquinoline (CAS No. 5332-24-1) is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017).On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 129 mg/l for Pseudokirchneriella subcapitata for 72 duration. Based on this value it can be concluded that the substance 3-Bromoquinoline is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) of the read across chemical Benzoic acid, 4-hydroxy-. methyl ester (CAS no. 99-76-3), short term toxicity to green algae study was carried out for 72 hrs. The study was performed according to OECD Guideline 201 (Alga, Growth Inhibition Test).The study was based on the effects of the read across compound Benzoic acid, 4-hydroxy-. methyl ester on green algae in a static fresh water system. Based on effect on growth rate of the test organism green algae, the 72 hr EC50 and NOEC value was determined to be 56 and 17 mg/l, respectively and on the basis of AUG, the 72 hr EC50 and NOEC value was determined to be 30 and 17 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance Benzoic acid, 4-hydroxy-. methyl ester can be considered as toxic to aquatic organisms. Since the chemical is readily biodegradable in nature, chemical Benzoic acid, 4-hydroxy-. methyl ester can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.
For the read across chemical 1-Hydroxy-3-amino-benzene (CAS no. 591-27-5), short term toxicity to green algae study was carried out for 72 hrs. The study was based on the effects of the read across compound 1-Hydroxy-3-amino-benzene on green algae in a static fresh water system. Based on effect on growth rate of the test organism green algae, the 72 hr EC50 and NOEC value was determined to be 160 and 25 mg/l, respectively and on the basis of biomass and areas under the growth curves, the 72 hr EC50 and NOEC value was determined to be 62 and 25 mg/l, respectively. Thus, based on the EC50 value (160 mg/l), it can be concluded that the substance 1-Hydroxy-3-amino-benzene can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.
Thus, based on the overall reported results for target chemical3-Bromoquinoline(OECD QSAR toolbox version 3.3, 2017) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the test substance 3-Bromoquinoline can be considered as non-toxic to aquatic environment and can be considered to be notclassified as per the CLP classification criteria.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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