Registration Dossier
Registration Dossier
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EC number: 210-764-9 | CAS number: 623-00-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1997-01-22 - 1997-01-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 997
- Report date:
- 1997
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-bromobenzonitrile
- EC Number:
- 210-764-9
- EC Name:
- 4-bromobenzonitrile
- Cas Number:
- 623-00-7
- Molecular formula:
- C7H4BrN
- IUPAC Name:
- 4-bromobenzonitrile
- Reference substance name:
- 2-bromobenzonitrile
- EC Number:
- 218-045-1
- EC Name:
- 2-bromobenzonitrile
- Cas Number:
- 2042-37-7
- Molecular formula:
- C7H4BrN
- IUPAC Name:
- 2-bromobenzonitrile
- Reference substance name:
- 3-bromobenzonitrile
- EC Number:
- 230-127-9
- EC Name:
- 3-bromobenzonitrile
- Cas Number:
- 6952-59-6
- Molecular formula:
- C7H4BrN
- IUPAC Name:
- 3-bromobenzonitrile
- Reference substance name:
- Benzonitrile
- EC Number:
- 202-855-7
- EC Name:
- Benzonitrile
- Cas Number:
- 100-47-0
- Molecular formula:
- C7H5N
- IUPAC Name:
- benzonitrile
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Water
- Test material form:
- solid
Constituent 1
impurity 1
impurity 2
impurity 3
impurity 4
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.3
- Temp.:
- 22.5 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- Log Pow of 4-Bromobenzonitrile is 2.3
- Executive summary:
The determinaiton of the partition coefficient (n-octanol/water) was based o the following guidelines:
OECD Guidelines for the testing of chemicals, Guideline No. 117: "Partition coefficient (n-octanol/water) Hich Performance Liquid Chromatography (HPLC) method" (adopted March 30, 1989).
ECC directive 92/69 ECC, Part A, Methods for the determination of physico-chemical properties, A.8: "Partition coefficient", ECC Publication no. L383, December 1992.
The HPLC method was chosen for the determination of the partitioncoefficient (n-octanol/water) of 4 -Bromobenzonitrile. In the HPLC chromatograms of 4 -Bromobenzonitrile using spectrophotometric detection at 210 nm, 1 test substance peak was observed and therefore 1 POW value was determined: 1.9 x 102 (log POW = 2.3).
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