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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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The prediction was done by using OECD QSAR tool box v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
Molecular formula: C6H7ClN2.xH2O4S
Molecular weight:240.6661
substance type: organic
physical state: light grey colored solid powder.
InChI: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)
Smiles:S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: % degradation BOD
- Value:
- 1.189
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- Percnet degradation of test chemical 2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Percent degradation of test chemical 2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter and microorganisms as inoculum in 28 days.
- Executive summary:
Biodegradability of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by uisng OECD QSAR tool box v3.3 and by considering seven closest read across chemicals with log Kow as primary descriptor. Percent degradation of test chemical 2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter and microorganisms as inoculum in 28 days. On the basis of this percentbiodegrdadability value it is concluded that this test chemical is not readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and "g" )
and "h" )
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3 ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion
formation OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine by
DNA binding by OECD ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Weak binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Anilines (amino-para) OR
Anilines (Unhindered) OR Inorganic Compound by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found AND SN1 AND SN1
>> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Primary
aromatic amine by DNA binding by OECD ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
AND Weak binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or NH2 group OR Strong binder, NH2 group OR
Strong binder, OH group OR Weak binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic chloride [-CL] AND Aromatic-H AND Benzene AND No
alert found by Bioaccumulation - metabolism alerts
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alkyl substituent on aromatic
ring OR Amide [-C(=O)-N or -C(=S)-N] OR Aromatic ether [-O-aromatic
carbon] OR Aromatic-CH OR Aromatic-CH3 OR Biphenyl OR Methyl [-CH3] OR
Naphthalene OR Number of fused 6-carbon aromatic rings OR Unsubstituted
phenyl group (C6H5-) by Bioaccumulation - metabolism alerts
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 108
Da
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 162
Da
Description of key information
Biodegradability of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by uisng OECD QSAR tool box v3.3 and by considering seven closest read across chemicals with log Kow as primary descriptor. Percent degradation of test chemical 2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter and microorganisms as inoculum in 28 days. On the basis of this percentbiodegrdadability value it is concluded that this test chemical is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
In first weight of evidence study the Biodegradability of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by using OECD QSAR tool box v3.3 and by considering seven closest read across chemicals with log Kow as primary descriptor. Percent degradation of test chemical 2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter and microorganisms as inoculum in 28 days. On the basis of this percent biodegrdadability value it is concluded that this test chemical is not readily biodegradable.
Next weight of evidence study was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 2-chlorobenzene-1,4-diammonium sulphate is expected to be not readily biodegradable.
Further, in experimental study Biodegradation test was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2-Amino-5-methylbenzenesulfonic acid from authoritative data base (J check, 2017). In this study the Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 0% by O2 consumption & BOD and < 0 % by TOC removal, Test mat. analysis & UV-Vis in 14 days.
Similarly another experimental study was conducted for read across chemical from same source mentioned above (J check, 2017) in this study Biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance Sulfanilic acid. Concentration of inoculum i.e, sludge used was 100 mg/l and initial test substance conc. used in the study was 30 mg/l. The percentage degradation of read across substance was determined to be 3% by BOD, 4% by TOC removal and 1% by HPLC in 28 days.
Last weight of evidence study was also done from authoritative database (J check, 2017) for read across chemical in this study the Biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2-Amino-5-chloro-4 -methylbenzene sulfonic acid. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of red across substance was determined to be 0% by O2 consumption & BOD, 2% by TOC removal and < 0% by Test mat. analysis & UV-Vis in 14 days.
By considering results of all the studies mentioned above it is observed that all the studies have shown percent biodegradability very low therefore it can be concluded that target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) is not readily biodegradable.
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