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Physical & Chemical properties

Partition coefficient

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Reference
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:
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.

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.