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EC number: 303-153-4 | CAS number: 94158-80-2
- 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
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- Nanomaterial pour density
- Nanomaterial photocatalytic activity
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- 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
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- Toxicological Summary
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- Specific investigations
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- Additional toxicological data

Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
Biowin1 = linear probability model
Biowin2 = nonlinear probability model
Biowin3 = expert survey ultimate biodegradation model
Biowin4 = expert survey primary biodegradation model
Biowin5 = MITI linear model
Biowin6 = MITI nonlinear model
Biowin7 = anaerobic biodegradation model - GLP compliance:
- no
- Oxygen conditions:
- other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)
- Inoculum or test system:
- other: mixed populations of environmental microorganisms
- Details on inoculum:
- no data
- Duration of test (contact time):
- 2.208 mo
- Details on study design:
- Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.
- Parameter:
- not specified
- Value:
- 50
- Sampling time:
- 2.208 mo
- Remarks on result:
- other: Other details not available.
- Details on results:
- Biowin1 (Linear Model Prediction) : -1.2060: Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): 0.0000: Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): 0.7463: Recalcitrant
Biowin4 (Primary Biodegradation Timeframe): 2.2079: Months
Biowin5 (MITI Linear Model Prediction) : -1.8505: Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.0000: Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): -2.6009: Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO - Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The results indicate that 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt was expected to be not readily biodegradable.
- Executive summary:
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2). The screening test ready biodegradability of the substance was calculated using the software BIOWIN
v4.10. The results indicate that the test chemical is expected to be not readily biodegradable in nature.
Reference
BIOWIN (v4.10) Program Results:
==============================
SMILES : C=CS(=O)(=O)c1ccc(cc1)Nc2nc(CL)nc(n2)Nc3cc(NC(=O)N)c(cc3)N=Nc4cc5c(S(
=O)(=O)O)cc(S(=O)(=O)O)cc5cc4S(=O)(=O)O([Na])
CHEM : 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4
-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5
MOL FOR: C28 H21 CL1 N9 O12 S4 Na1
MOL WT : 862.21
--------------------------- BIOWIN v4.10 Results ----------------------------
************************************************************************
* WARNING - The entered structure contains Na, K or Li *
* ---- The metal WAS NOT REMOVED for these calculations ---- *
* Option of Removal/Non-Removal available from entry screen menu-bar. *
* For additional information, see the BIOWIN Help file. *
************************************************************************
Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant
Biowin4 (Primary Biodegradation Timeframe): Months
Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO
***********************************************************************
* Sulfonic acid salt (Na, K, or Li) detected...Mol Wt for prediction *
* modified to use the acid Mol Wt (840.23)
***********************************************************************
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | 0.0095 | 0.0095
Frag | 1 | Aromatic chloride [-CL] | -0.1824 | -0.1824
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -0.2338 | -0.4675
Frag | 3 | Sulfonic acid / salt -> aromatic attach | -0.2238 | -0.6713
Frag | 1 | Azo group [-N=N-] | -0.2418 | -0.2418
MolWt| * | Molecular Weight Parameter | | -0.4000
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | -1.2060
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -5.7252 | -5.7252
Frag | 1 | Aromatic chloride [-CL] | -2.0155 | -2.0155
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -1.9070 | -3.8140
Frag | 3 | Sulfonic acid / salt -> aromatic attach | -1.0283 | -3.0849
Frag | 1 | Azo group [-N=N-] | -8.2194 | -8.2194
MolWt| * | Molecular Weight Parameter | |-11.9313
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.0000
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -0.2459 | -0.2459
Frag | 1 | Aromatic chloride [-CL] | -0.2066 | -0.2066
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -0.1349 | -0.2699
Frag | 3 | Sulfonic acid / salt -> aromatic attach | 0.1422 | 0.4266
Frag | 1 | Azo group [-N=N-] | -0.3004 | -0.3004
MolWt| * | Molecular Weight Parameter | | -1.8568
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 0.7463
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -0.0575 | -0.0575
Frag | 1 | Aromatic chloride [-CL] | -0.1653 | -0.1653
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -0.1084 | -0.2168
Frag | 3 | Sulfonic acid / salt -> aromatic attach | 0.0216 | 0.0649
Frag | 1 | Azo group [-N=N-] | -0.0528 | -0.0528
MolWt| * | Molecular Weight Parameter | | -1.2123
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 2.2079
============+============================================+=========+=========
Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | 0.1168 | 0.1168
Frag | 1 | Aromatic chloride [-CL] | 0.0062 | 0.0062
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -0.1577 | -0.3154
Frag | 3 | Sulfonic acid / salt -> aromatic attach | 0.0221 | 0.0664
Frag | 1 | Azo group [-N=N-] | -0.0459 | -0.0459
Frag | 11 | Aromatic-H | 0.0082 | 0.0904
Frag | 3 | -C=CH [alkenyl hydrogen] | 0.0062 | 0.0186
MolWt| * | Molecular Weight Parameter | | -2.4997
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | -1.8505
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -9.3006 | -9.3006
Frag | 1 | Aromatic chloride [-CL] | -0.2191 | -0.2191
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -1.2264 | -2.4527
Frag | 3 | Sulfonic acid / salt -> aromatic attach | 0.6780 | 2.0341
Frag | 1 | Azo group [-N=N-] |-10.6129 |-10.6129
Frag | 11 | Aromatic-H | 0.1201 | 1.3216
Frag | 3 | -C=CH [alkenyl hydrogen] | 0.0285 | 0.0855
MolWt| * | Molecular Weight Parameter | |-24.2565
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0000
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -0.0783 | -0.0783
Frag | 1 | Aromatic chloride [-CL] | -0.4023 | -0.4023
Frag | 2 | Aromatic amine [-NH2 or -NH-] | -0.2778 | -0.5556
Frag | 3 | Sulfonic acid / salt -> aromatic attach | -0.3768 | -1.1305
Frag | 1 | Azo group [-N=N-] | 0.0000 | 0.0000
Frag | 11 | Aromatic-H | -0.0954 | -1.0497
Frag | 3 | -C=CH [alkenyl hydrogen] | -0.0735 | -0.2206
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -2.6009
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
Ready Biodegradability Prediction: (YES or NO): NO
Description of key information
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2). The screening test ready biodegradability of the substance was calculated using the software BIOWIN v4.10. The results indicate that the test chemical is expected to be not readily biodegradable in nature.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
The predicted data for the test compound substance7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-
[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2) and the study of its read across substance were reviewed for the biodegradation end point which are summarized as below:
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2). The screening test ready biodegradability of the substance was calculated using the software BIOWINv4.10. The results indicate that the test chemical is expected to be not readily biodegradable in nature.
Biodegradation in water ability was predicted (SSS QSAR prediction model, 2016) for the test 7-[[2-[(aminocarbonyl)amino]-4-[[4-
chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2) using the SSS QSAR prediction model. The ready biodegradability of the test substance 7-[[2-[(aminocarbonyl)amino]-4-[[4- chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt was estimated as 11.68% in 28 days. This result indicates that 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt was estimated to be not readily biodegradable in water.
Biodegradation study (J-CHECK, 2016) was conducted for 28 days for evaluating the percentage biodegradability of test substance Direct Yellow 50. 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 test substance was found to be 0% by BOD and HPLC and 13% by TOC. Thus, the substance Direct Yellow 50 is expected to be not readily biodegradable in water.
Biodegradation study (EnviChem, 2014) was conducted for 14 days for evaluating the percentage biodegradability of test substance Urea J Acid. Concentrationof 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 test substance was found to be 0% by BOD. Thus, the substance Urea J Acid is expected to be not readily biodegradable in water.
On the basis of above results of target and its read across substance, it can be concluded that the test substance 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-
6-[[4-[vinylsulphonyl]phenyl]amino]- 1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt can be expected to be not readily biodegradable in nature.
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