Registration Dossier
Registration Dossier
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EC number: 700-683-1 | CAS number: 853950-77-3
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Predicted value from (Q)SAR model.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- secondary source
- Title:
- (R)-2-{[(3-methyl-4-nitropyridine-2-yl)methyl]sulfinyl}-1H-benzimidazole
- Author:
- ChemSpider data bank
- Year:
- 2 011
- Bibliographic source:
- http://www.chemspider.com/Chemical-Structure.23349748
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Structure-activity relationship assessed in silico ((Q)SAR model).
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 2-[(R)-(3-methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
- EC Number:
- 700-683-1
- Cas Number:
- 853950-77-3
- Molecular formula:
- C14H12N4O3S
- IUPAC Name:
- 2-[(R)-(3-methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
Constituent 1
Results and discussion
Any other information on results incl. tables
The predicted BCF value is 4.17 (L/Kg) whole body weight (Log BCF value: 0.620 at pH=5.5).
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The predicted BCF value is 4.17 (L/Kg) whole body weight (Log BCF value: 0.620 at pH=5.5).
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