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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
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 authoritative databases.
Qualifier:
according to
Guideline:
other: As mention below
Principles of method if other than guideline:
To estimate octanol water partition coefficient of the 3-Bromoquinoline (5332-24-1).
GLP compliance:
not specified
Other quality assurance:
other: No data
Type of method:
other: No data
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Common name: 3-Bromoquinoline
- Molecular formula: C9H6BrN
- Molecular weight: 208.057 g/mole
- Smiles notation: c12c(ncc(c1)Br)cccc2
- InChl: 1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
- Substance type: Organic
- Physical state: Liquid
Key result
Type:
log Pow
Partition coefficient:
3.03
Remarks on result:
other: Other details not known
Details on results:
The log Kow of test chemical 3-Bromoquinoline was determined to be 3.03.
Conclusions:
The partition coefficient (log Kow) of test chemical 3-Bromoquinoline was determined to be 3.03.
Executive summary:

The partition coefficient (log Kow) of test chemical 3-Bromoquinoline was determined to be 3.03. Based on the experimental data chemical 3-Bromoquinoline can be considered to be hydrophilic in nature.

Description of key information

The partition coefficient (log Kow) of test chemical 3-Bromoquinoline was determined to be 3.03. Based on the experimental data chemical 3-Bromoquinoline can be considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.03

Additional information

Based on the available data in a key study from handbook, authoritative and modeling databases, the octanol water partition coefficient (log Pow) value of the test substance 3-Bromoquinoline (5332-24-1) was estimated to be 3.03.

In a supporting study from secondary source and predicted data, the partition coefficient (log Kow) of test chemical 3-Bromoquinoline was determined to be 3.03 ±0.29. Based on the predicted data chemical 3-Bromoquinoline can be considered to be hydrophilic in nature.

Thus based on the predicted and experimental data it was concluded that the chemical was hydrophilic in nature.