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EC number: 201-348-8 | CAS number: 81-42-5
- 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:
- other information
- 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 v.3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test chemical: 1,4-diamino-2,3-dichloroanthraquinone
- Molecular formula: C14H8Cl2N2O2
- Molecular weight: 307.135 g/mol
- Smiles Notation: c1cc2c(cc1)C(=O)c1c(c(c(c(c1N)Cl)Cl)N)C2=O
- InChI: 1S/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2
- Substance Type: Organic
- Physical State: Solid crystal powder - 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: BOD
- Value:
- 0.125
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone it is concluded that this test chemical is not readily biodegradable.
- Executive summary:
Biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CASno. 81-42-5) is predicted using OECD QSAR tool box v.3.3using log Kow as primary descriptor. The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone 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 8 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" )
and "c" )
and "d" )
and ("e"
and "f" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aminoaniline, para OR
Anthracenone/ Antracendione OR Aryl halide OR Overlapping groups by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR
Aryl chloride OR Aryl halide OR Carbonyl compound OR Halogen derivative
OR Ketone OR Primary amine OR Primary aromatic amine by Organic
functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as weeks - months by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 196
Da
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 336
Da
Description of key information
Biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CASno. 81-42-5) is predicted using OECD QSAR tool box v.3.3using log Kow as primary descriptor. The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone 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
Predicted data for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) and supporting weight of evidence studies for its read across chemicals with log Kow as primary descriptor were review for biodegradation endpoint which are summarized as below.
Biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) is predicted using OECD QSAR tool box v.3.3using log Kow as primary descriptor. The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone it is concluded that this test chemical is not readily biodegradable.
Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) 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 1,4-diamino-2,3-dichloroanthraquinone is expected to be not readily biodegradable.
In a supporting weight of evidence study from authoritative database (J Check, 2017) the Biodegradation experiment was carried out for read across chemical 1-amino-2-bromo-4-hydroxy-9,10-dihydroanthracene-9,10-dione (CAS no.116-82-5) by taking activated sludge as inoculums at 30 mg/L concentration for 28 days. Biodegradation was analyzed by using two parameters that are BOD and test material analysis by HPLC .The initial concentration of read across chemical was 100 mg/L. After 4 weeks of incubation percent biodegradation of read across chemical 1-amino-2-bromo-4-hydroxy-9,10-dihydroanthracene-9,10-dione was observed to be 1.0 % by BOD parameter 0.0 % by test material analysis by HPLC parameter.Therefore it is concluded that read across chemical 1-amino-2-bromo-4-hydroxy-9,10-dihydroanthracene-9,10-dione is not readily biodegradable.
In another supporting weight of evidence study from authoritative database (J Check, 2017) of read across chemical 2,2'-dichloro-4,4'-methylenedianiline (CAS no. 101-14-4) biodegradation test was carried out by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using two parameters that are O2 consumption (BOD) and test material analysis by HPLC. The initial concentration of read across chemical was 100 mg/L and equipment used in study was of standard type. After four weeks (28 days) of incubation read across chemical 2,2'-dichloro-4,4'-methylenedianiline undergoes 0.0 % degradation by O2 consumption (BOD) parameter and 1.0 % degradation by test material analysis by HPLC parameter. Thus based on percent biodegradability it is concluded that read across chemical 2,2'-dichloro-4,4'-methylenedianiline is not readily biodegradable.
On the basisof above results for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) from OECD tool box v.3.3 and EPI suite and for its read across chemicals from authoritative database (J Check, 2017) the target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) is expected to be not readily biodegrdable.
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