Registration Dossier
Registration Dossier
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EC number: 210-578-8 | CAS number: 619-08-9
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:
- data from handbook or collection of data
- Justification for type of information:
- Data is from handbook, authoritative and modeling databases
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Estimation of octanol water partition coefficient of the test substance 2-Chloro-4-nitrophenol.
- GLP compliance:
- not specified
- Type of method:
- other: No data available
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 2-Chloro-4-nitrophenol
- Molecular formula: C6H4ClNO3
- Molecular weight: 173.555 g/mol
- Smiles notation: c1(cc(c(O)cc1)Cl)[N+](=O)[O-]
- InChl: 1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
- Substance type: Organic
- Physical state: Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- 2.55
- Remarks on result:
- other: Other details not known
- Details on results:
- The logKow of test chemical 2-Chloro-4-nitrophenol was estimated to be 2.55.
- Conclusions:
- The partition coefficient (log Pow) value of the substance 2-Chloro-4-nitrophenol was estimated to be 2.55.
- Executive summary:
The partition coefficient (log Pow) value of the substance 2-Chloro-4-nitrophenol was estimated to be 2.55. Based on the estimated value, chemical 2-Chloro-4-nitrophenol can be considered to be hydrophilic in nature.
Reference
Description of key information
Based on the available data from handbook, authoritative and modeling databases, the octanol water partition coefficient (log Pow) value of the test substance 2-Chloro-4-nitrophenol was estimated to be 2.55.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.55
Additional information
Based on the available data in a key study from handbook, authoritative and modeling databases and supporting study from SRC PhysProp authoritative database, the octanol water partition coefficient (log Pow) value of the test substance 2-Chloro-4-nitrophenol was estimated to be 2.55.
In a supportingstudy from modeling database, the partition coefficient (log Pow) value of the test substance 2-Chloro-4-nitrophenol was estimated to be 2.51.
Another supportingstudy from peer reviewed journal indicates that the octanol water partition coefficient of the test substance 2-Chloro-4-nitrophenol was determined to be 2.33.
Thus, based on the available information, the logPow value of the test substance 2-Chloro-4-nitrophenol ranges from 2.33 to2.55, respectively and thus chemical 2-Chloro-4-nitrophenol can be considered to be hydrophilic in nature.
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