Registration Dossier
Registration Dossier
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EC number: 225-876-3 | CAS number: 5131-58-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from authorative databases and modelling databases
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- To estimate the octanol water partition coefficient of 4-nitro-m-phenylenediamine
- GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material : 4-Nitro-m-phenylenediamine
- Molecular formula : C6H7N3O2
- Molecular weight: 153.14 g/mol
- Smiles notation: c1(c(cc(N)cc1)N)[N+](=O)[O-]
- InChl: 1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2
- Substance type: Organic
- Physical state: Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- 0.55
- Remarks on result:
- other: estimated data
- Conclusions:
- The estimated octanol water partition coefficient (logPow) of 4-nitro-m-phenylenediamine was 0.55
- Executive summary:
Data from various authoritative databases suggests that the estimated octanol water partition coefficient (logPow) of 4-nitro-m-phenylenediamine was 0.55.This value indicates that 4-nitro-m-phenylenediamine is hydrophillic in nature.
Reference
Description of key information
Data from various authoritative databases suggests that the estimated octanol water partition coefficient (logPow) of 4-nitro-m-phenylenediamine was 0.55.This value indicates that 4-nitro-m-phenylene diamine is hydrophillic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.55
Additional information
Data from various authoritative databases suggests that the estimated octanol water partition coefficient (logPow) of 4-nitro-m-phenylenediamine was 0.55.This value indicates that 4-nitro-m-phenylene diamine is hydrophillic in nature.
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