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EC number: 219-924-2 | CAS number: 2576-47-8
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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 QSAR Toolbox version 3.4 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2-bromoethanaminium bromide
- Molecular formula: C2 H6 Br N.Br H
- Molecular weight: 204.892 g/mol
- Smiles notation: C(C[NH3+])Br.[BrH-]
- Inchl : 1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- No data available
- Test temperature:
- No data available
- pH:
- No data available
- Dissolved oxygen:
- No data available
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 85.54 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- EC50 value was estimated to be 85.54mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the 2-bromoethanaminium bromide (CAS No.2576-47-8) was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 as per the CLP regulations. - Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 2-bromoethanaminium bromide (CAS No.2576-47-8). EC50 value was estimated to be 85.54mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the 2-bromoethanaminium bromide (CAS No.2576-47-8) was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 as per the CLP regulations.
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 "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and "i" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SN2 AND SN2 >> Episulfonium Ion
Formation AND SN2 >> Episulfonium Ion Formation >> Mustards by DNA
binding by OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN2 AND SN2 >> Nucleophilic
substitution at sp3 carbon atom AND SN2 >> Nucleophilic substitution at
sp3 carbon atom >> Alkyl halides by Protein binding by OASIS v1.4
Domain
logical expression index: "d"
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: "e"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Not Related to an Existing
ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Acrylamides OR
Aldehydes (Mono) OR Aliphatic Amines OR Amides OR Benzyl Alcohols OR
Esters OR Esters (phosphate) OR Inorganic Compound OR Ketone alcohols OR
Phenol Amines OR Phenols OR Polynitrobenzenes OR Surfactants-Cationic OR
Triazines, Aliphatic OR Vinyl/Allyl Alcohols OR Vinyl/Allyl Halides OR
Vinyl/Allyl Ketones by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.44
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.2
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 2-bromoethanaminium bromide (CAS No.2576-47-8). EC50 value was estimated to be 85.54mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the 2-bromoethanaminium bromide (CAS No.2576-47-8) was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 as per the CLP regulations.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 85.54 mg/L
Additional information
Short term toxicity to aquatic invertebrates was summarised with 3 weight of evidence for 2-bromoethanaminium bromide (CAS No.2576-47-8) with one predicted QSAR report for target and supporting studies for read-across substances 2-chloro-N, N, N-trimethylethanaminium chloride (999-81-5) and 2-(2-chloroethyl) phosphonic acid (16672-87-0):
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 2-bromoethanaminium bromide (CAS No.2576-47-8). EC50 value was estimated to be 85.54mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the 2-bromoethanaminium bromide (CAS No.2576-47-8) was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 as per the CLP regulations.
Short term toxicity to aquatic invertebrates was performed in read across 2-chloro-N, N, N-trimethylethanaminium chloride (999-81-5) (ECOTOX database, 2017) for 5 Daphnia with age of 6-24 hr old. Concentrations ranges from 14.9-19.2 mg/l were treated for 48 hrs on the basis of effect intoxication. After the 48 hrs, the EC 50 value for 2-chloro-N, N, N-trimethylethanaminium chloride (999-81-5) for daphnia magna was determined to be 16.7 mg/l on the basis of intoxication. Based on the value, 2-chloro-N, N, N-trimethylethanaminium chloride was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 category as per the CLP regulations.
Another read across supporting weight of evidence of short term toxicity to aquatic invertebrates was performed in 5 Daphnia for read across (2-chloroethyl)phosphonic acid (16672-87-0) (ECOTOX database,2017)Concentrations ranges from 17 -58 mg/l were treated for 48 hrs on the basis of effect intoxication.
After the 48 hrs, the EC 50 value for (2-chloroethyl)phosphonic acid (16672-87-0) for daphnia magna was determined to be 31.7 mg/l on the basis of intoxication.Based on the value, (2-chloroethyl) phosphonic acid was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 category as per the CLP regulations.
On the basis of results for toxicity to aquatic invertebrates from target prediction and read across chemical results which were likely to be toxic to aquatic invertebrates at environmentally relevant concentrations also supported the target substances hence, from all weight of evidences it can be considered that 2-bromoethanaminium bromide (CAS No.2576-47-8) can be toxic and can be classified in aquatic chronic 3 category as per the criteria of CLP regulation
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