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EC number: 221-717-7 | CAS number: 3209-22-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
- Principles of method if other than guideline:
- measured log Pow , no further information
- GLP compliance:
- not specified
- Type of method:
- other: no data
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: no data
- Type:
- log Pow
- Partition coefficient:
- 3.05
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Conclusions:
- Partition coefficient of 1,2-dichloro-3-nitrobenzene is given as log Pow = 3.05
The pH-value and the temperature were not reported - Executive summary:
Cronin, 2001
Partition coefficiet of 1,2-dichloro-3-nitrobenzene: log Pow = 3.05
The pH-value and the temperature were not reported.
- Endpoint:
- partition coefficient
- Type of information:
- not specified
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
- Principles of method if other than guideline:
- secondary peer reviewed source, valid collection of data
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Analytical method:
- other:
- Type:
- log Pow
- Partition coefficient:
- 3.05
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Details on results:
- The pH-value and the temperature were not reported.
- Conclusions:
- The partition coefficiet of 1,2-dichloro-3-nitrobenzene is log Pow = 3.05
The pH-value and the temperature were not reported. - Executive summary:
National Institute for Occupational Safety and Health; online, 2009
Partition coefficiet of 1,2-dichloro-3-nitrobenzene: log Pow = 3.05
The pH-value and the temperature were not reported.
- Endpoint:
- partition coefficient
- Type of information:
- other: BUA-report
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Remarks:
- No reliability is given as this is a summary entry for the BUA-report.
- Justification for type of information:
- Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
- Principles of method if other than guideline:
- BUA-report
- GLP compliance:
- not specified
- Type of method:
- other: no data
- Partition coefficient type:
- octanol-water
- Analytical method:
- other:
- Type:
- log Pow
- Partition coefficient:
- 3.01
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Type:
- log Pow
- Partition coefficient:
- 3.08
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Type:
- log Pow
- Partition coefficient:
- 3.05
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Type:
- log Pow
- Partition coefficient:
- 2.9
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Conclusions:
- The data on log Kow range from 2.9 (Canton et al., 1985) to 3.08 (McCrady et al., 1987).
- Executive summary:
BUA-report
The data on log Kow range from 2.9 (Canton et al., 1985) to 3.08 (McCrady et al., 1987).
The log Kow, studied using the shake flask method, was observed to be 2.9 (Canton et al., 1985), 3.05 (Kaiser, 1983; Kaiser& Ribo, 1985), 3.08 (McCrady et al, 1987). Deneer at al., 1987 measured a log Kow = 3.01 using reverse phase HPLC.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
- Principles of method if other than guideline:
- secondary peer reviewed source, valid collection of data
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Analytical method:
- other:
- Type:
- log Pow
- Partition coefficient:
- 3.05
- Remarks on result:
- other: The pH-value and the temperature were not reported.
- Details on results:
- The pH-value and the temperature were not reported.
- Conclusions:
- Partition coefficiet of 1,2-dichloro-3-nitrobenzene is determined as log Pow = 3.05 by shake flask method. The pH-value and the temperature were not reported
- Executive summary:
HSDB 2009
Partition coefficiet of 1,2-dichloro-3-nitrobenzene: log Pow = 3.05
The pH-value and the temperature were not reported.
Referenceopen allclose all
The pH-value and the temperature were not reported.
BUA-report
The data on log Kow range from 2.9 (Canton et al., 1985) to 3.08 (McCrady et al., 1987).
The log Kow, studied using the shake flask method, was observed to be 2.9 (Canton et al., 1985), 3.05 (Kaiser, 1983; Kaiser& Ribo, 1985), 3.08 (McCrady et al, 1987). Deneer at al., 1987 measured a log Kow = 3.01 using reverse phase HPLC.
The pH-value and the temperature were not reported.
Description of key information
The individual study reports (data from handbooks or collection of data) show some deficiencies with respect to the comprehensiveness of the experimental details. Therefore, a reliability of 1 or 2 and thus adequacy as key study was not assignable for any of the individual studies. Consequently, the studies were assigned a Klimisch score of 4 (according to guidance document R.4, ‘not assignable: studies or data […] which are only listed in short abstracts or secondary literature (books, reviews, etc.)). As the individual studies report values in a similar range, collectively, these studies can be used to conclude on this endpoint and to satisfy the information requirement.
The partition coefficient of 1,2-dichloro-3-nitrobenzene was determined in a series of experimental studies and found to be in the range of 2.9 to 3.08:
HSDB 2009
Partition coefficiet of 1,2-dichloro-3-nitrobenzene: log Pow = 3.05
The pH-value and the temperature were not reported.
BUA-report
The data on log Kow range from 2.9 (Canton et al., 1985) to 3.08 (McCrady et al., 1987). The log Kow, studied using the shake flask method, was observed to be 2.9 (Canton et al., 1985), 3.05 (Kaiser, 1983; Kaiser& Ribo, 1985), 3.08 (McCrady et al, 1987). Deneer at al., 1987 measured a log Kow = 3.01 using reverse phase HPLC.
National Institute for Occupational Safety and Health; online, 2009
Partition coefficiet of 1,2-dichloro-3-nitrobenzene: log Pow = 3.05
The pH-value and the temperature were not reported.
Cronin, 2001
Partition coefficiet of 1,2-dichloro-3-nitrobenzene: log Pow = 3.05
The pH-value and the temperature were not reported.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.05
- at the temperature of:
- 25 °C
Additional information
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