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EC number: 610-962-9 | CAS number: 5311-05-7
- 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
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Study period:
- January 2023
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- Biowin v4.10
Section MITI Models
Linear and Non-Linear MITI Biodegradation Model (Biowin 5 and Biowin 6)
Data source
Reference
- Reference Type:
- other: QSAR Model
- Title:
- Biodeg Prediction CAS: 5311-05-7
- Author:
- M. Essers
- Year:
- 2 023
Materials and methods
Test material
- Reference substance name:
- 4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
- EC Number:
- 610-962-9
- Cas Number:
- 5311-05-7
- Molecular formula:
- C5H5F3N4O
- IUPAC Name:
- 4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Constituent 1
- Specific details on test material used for the study:
- COc1nc(nc(n1)N)C(F)(F)F
Results and discussion
Any other information on results incl. tables
SMILES : COc1nc(nc(n1)N)C(F)(F)F
CHEM :
MOL FOR: C5 H5 F3 N4 O1
MOL WT : 194.12
--------------------------- BIOWIN v4.10 Results ----------------------------
Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Months
Biowin4 (Primary Biodegradation Timeframe): Weeks
Biowin5 (MITI Linear Model Prediction) : Not Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Not Readily Degradable
Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
Ready Biodegradability Prediction: NO
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | 0.0095 | 0.0095
Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.2338 | -0.2338
Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.1319 | 0.1319
Frag | 1 | Trifluoromethyl group [-CF3] | -0.5204 | -0.5204
MolWt| * | Molecular Weight Parameter | | -0.0924
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.0424
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -5.7252 | -5.7252
Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.9070 | -1.9070
Frag | 1 | Aromatic ether [-O-aromatic carbon] | 2.2483 | 2.2483
Frag | 1 | Trifluoromethyl group [-CF3] | -5.6696 | -5.6696
MolWt| * | Molecular Weight Parameter | | -2.7565
============+============================================+=========+=========
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 amine [-NH2 or -NH-] | -0.1349 | -0.1349
Frag | 1 | Aromatic ether [-O-aromatic carbon] | -0.0581 | -0.0581
Frag | 1 | Trifluoromethyl group [-CF3] | -0.5130 | -0.5130
MolWt| * | Molecular Weight Parameter | | -0.4290
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 1.8183
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -0.0575 | -0.0575
Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1084 | -0.1084
Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.0771 | 0.0771
Frag | 1 | Trifluoromethyl group [-CF3] | -0.2744 | -0.2744
MolWt| * | Molecular Weight Parameter | | -0.2801
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.2045
============+============================================+=========+=========
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 amine [-NH2 or -NH-] | -0.1577 | -0.1577
Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.1952 | 0.1952
Frag | 3 | Fluorine [-F] | 0.0174 | 0.0521
Frag | 1 | Methyl [-CH3] | 0.0004 | 0.0004
MolWt| * | Molecular Weight Parameter | | -0.5775
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.3415
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Triazine ring (symmetric) | -9.3006 | -9.3006
Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.2264 | -1.2264
Frag | 1 | Aromatic ether [-O-aromatic carbon] | 1.3227 | 1.3227
Frag | 3 | Fluorine [-F] | -3.9878 |-11.9635
Frag | 1 | Methyl [-CH3] | 0.0194 | 0.0194
MolWt| * | Molecular Weight Parameter | | -5.6039
============+============================================+=========+=========
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 amine [-NH2 or -NH-] | -0.2778 | -0.2778
Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.1780 | 0.1780
Frag | 1 | Trifluoromethyl group [-CF3] | 0.0000 | 0.0000
Frag | 3 | Fluorine [-F] | 0.0000 | 0.0000
Frag | 1 | Methyl [-CH3] | -0.0796 | -0.0796
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.5785
============+============================================+=========+=========
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)
----------------------------------------------
Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey
model) result is "weeks" or faster (i.e. "days", "days to weeks", or
"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then
the prediction is YES (readily biodegradable). If this condition is not
satisfied, the prediction is NO (not readily biodegradable). This method
is based on application of Bayesian analysis to ready biodegradation data
(see Help). Biowin5 and 6 also predict ready biodegradability, but for
degradation in the OECD301C test only; using data from the Chemicals
Evaluation and Research Institute Japan (CERIJ) database.
Applicant's summary and conclusion
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Based on the above criteria, the prediction for this substance is: not readily biodegradable
- Executive summary:
Die Biodegradation in water was calculated/predicted with Biowin v4.10
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