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EC number: 228-291-1 | CAS number: 6219-71-2
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 2-chlorobenzene-1,4-diammonium sulphate
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
- Molecular formula: C6H7ClN2.xH2O4S
- Molecular weight: 240.6661 g/mole
- Smiles : S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl
- Inchl: 1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid (Light grey powder) - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: estimation
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non-bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-chlorobenzene-1,4-diammonium sulphate is non bioaccumulative in food chain.
- Executive summary:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-chlorobenzene-1,4-diammonium sulphate is non bioaccumulative in food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : OS(=O)(=O)ON(H)(H)(H)c1c(CL)cc(N)cc1
CHEM : 1,4-Benzenediamine, 2-chloro-, sulfate
MOL FOR: C6 H9 CL1 N2 O4 S1
MOL WT : 240.66
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.00155 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): -0.05 (BAF = 0.893 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: -3.63
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Description of key information
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-chlorobenzene-1,4-diammonium sulphate is non bioaccumulative in food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
One predicted data study for target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) and two experimental studies for its structurally similar read across chemical have been studied and there results are summarized below.
First weight of evidence study was done by Using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2017) the bio concentration factor (BCF) for 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) was estimated to be 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-chlorobenzene-1,4-diammonium sulphate is non bioaccumulative in food chain.
Next weight of evidence study was experimental study done from authoritative database (J check, 2017) in this study Bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) and lipid content of substance 4-aminobenzenesulfonic acid (Cas no.121-57-3) on test organism Cyprinus carpio. The recovery ratio is given- Fish: 87.5% And Nominal concentrations used in the study as - 1st concentration area: 1 mg/L, 2nd concentration area: 0.1 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was estimated to be 270 mg/L.
By analytical methods, the limit of quantification was determined to be- Test water: (Fish: 340 ng/g) 1st concentration area: 31 µg/l and 2nd concentration area: 3.1µg/l.
Whereas the lipid content at the start and end of exposure was determined to be 2.14% and 2.05%, respectively.
Thus according to guideline OECD Guideline 305 (Bioconcentration: Flow through Fish Test) the BCF value for read across substance 4-aminobenzenesulfonic acid (Cas no.121-57-3) was observed to be <= 0.34 L/kg at dose concentration 1 mg/L and <= 3.5 L/kg at dose concentration 0.1 mg/L on test organism Cyprinus carpio during 28 day period.These values indicate that the read across substance is not bioaccumulative in fish and food chain.
Last weight of evidence study was also experimental study done from same source as mentioned above (J check, 2017) for read across substance. In this study Bioaccumulation experiment was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical 2-Amino-5-methylbenzenesulfonic acid (CAS no: 88-44-8) on test organism Cyprinus carpio.
Nominal concentrations used was 1st Concentration area: 2.0 mg/L (w/v), 2nd Concentration area: 0.2mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 480 ppm(w/v). Thus according to static Fish Test the bioconcentration factor (BCF) for read across chemical 2-Amino-5-methylbenzenesulfonic acid was determined according static fish test. The BCF value was observed to be ≤ 0.4 L/kg at dose concentration 2.0 mg/L and ≤ 4.0 L/kg at dose concentration 0.2 mg/L on test organism Cyprinus carpio during 6 weeks period. Therefore it is concluded that read across chemical 2-Amino-5-methylbenzenesulfonic acid is non-bioaccumulative as these BCF values are far less than 2000 criteria.
On the basis of all the studies mentioned above it is observed that BCF value for target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) and its read across chemical was very low and far less than 2000 criteria of CLP regulation therefore it is concluded that this test chemical is non-bioaccumulative in nature.
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