Registration Dossier
Registration Dossier
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EC number: 228-510-0 | CAS number: 6284-83-9
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2022
- 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:
- 1. SOFTWARE
DANISH QSAR
2. MODEL (incl. version number)
EPI BIOWIN models
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES (used for QSAR prediction): c1(Cl)c(N(=O)=O)c(Cl)c(N(=O)=O)c(Cl)c1
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR prediction using BIOWIN models
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,3,5-trichloro-2,6-dinitrobenzene
- Cas Number:
- 6284-83-9
- IUPAC Name:
- 1,3,5-trichloro-2,6-dinitrobenzene
Constituent 1
Results and discussion
% Degradation
- Key result
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
Any other information on results incl. tables
Biowin1 (linear model) Probability of Rapid Biodegradation | -0.539 |
Biowin2 (non-linear model) Probability of Rapid Biodegradation | 0 |
Biowin3 Expert Survey Ultimate Biodegradation | 1.6403 |
Biowin3 Expert Survey Ultimate Timeframe | recalcitrant |
Biowin4 Expert Survey Primary Biodegradation | 2.7433 |
Biowin4 Exp. Survey Primary Timeframe | weeks-months |
Biowin5 (MITI linear model) Biodegradation Probability | -0.4439 |
Biowin6 (MITI non-linear model) Biodegradation Probability | 0 |
Biowin7 (Anaerobic Linear) Biodegradation Probability | -0.8943 |
Petroleum Hydrocarbon Biodegradation Half-Life (days) |
|
EPI BIOWIN models | |
SkinBiowin1 and Biowin2: ≥0.5: “Rapid” <0.5: “Slow” Biowin3 and Biowin4: 5 ~ hours; 4 ~ days; 3 ~ weeks; 2 ~ months; 1 ~ years. Biowin5 and Biowin6: ≥0.5: “Readily”, <0.5: “Not readily”. Biowin7: ≥0.5: “Fast”, <0.5: “Slow” | |
| Exp | Battery | CASE Ultra | Leadscope | SciQSAR |
Not Ready Biodegradability (POS=Not Ready) |
| POS_IN | POS_IN | POS_IN | POS_IN |
DTU-developed models | |||||
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
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