Registration Dossier
Registration Dossier
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EC number: 201-255-2 | CAS number: 80-17-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- other: collection of data
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
Data source
Referenceopen allclose all
- Reference Type:
- other: collection of data
- Title:
- LogKow Database
- Author:
- J. Sangster
- Bibliographic source:
- J. Sangster, LOGKOW – a Databank of Evaluated Octanol-Water Partition Coefficients, Sangster Research Laboratories, Montreal (1993).
- Reference Type:
- review article or handbook
- Title:
- Exploring QSAR - Hydrophobic, Electronic, and Steric Constants
- Author:
- Hansch, C., Leo, A., D. Hoekman
- Year:
- 1 995
- Bibliographic source:
- Washington, DC: American Chemical Society., 1995
- Reference Type:
- other: QSAR-tool
- Title:
- Estimation Program Interface EPI Suite (TM) v4.11: KOWWIN v. 1.68 for estimation of log Kow
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Materials and methods
- Partition coefficient type:
- octanol-water
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.14
Any other information on results incl. tables
KOWWIN Program (v1.68) Results:
===============================
Log Kow(version 1.68 estimate): 0.01
Experimental Database Structure Match:
Name : BENZENESULFONIC ACID HYDRAZIDE
CAS Num : 000080-17-1
Exp Log P: -0.14
Exp Ref : HANSCH,C ET AL.(1995)
SMILES : c1ccc(cc1)S(=O)(=O)NN
CHEM : Benzenesulphonohydrazide
MOL FOR: C6 H8 N2 O2 S1
MOL WT : 172.20
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 1 | -NH2 [aliphatic attach] |-1.4148 | -1.4148
Frag | 1 | -NH- [aliphatic attach] |-1.4962 | -1.4962
Frag | 6 | Aromatic Carbon | 0.2940 | 1.7640
Frag | 1 | -SO2-N [aromatic attach] |-0.2079 | -0.2079
Factor| 1 | -NH-NH- structure correction | 1.1330 | 1.1330
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 0.0071
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
