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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
Atom/fragment contribution method for estimating octanol-water partition coefficients
Author:
Meylan, W.M. and P.H. Howard
Year:
1995
Bibliographic source:
J. Pharm. Sci. 84: 83-92.

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs R.6, May/July 2008

Test material

Constituent 1
Chemical structure
Reference substance name:
2-chloronicotinic acid
EC Number:
220-937-0
EC Name:
2-chloronicotinic acid
Cas Number:
2942-59-8
Molecular formula:
C6H4ClNO2
IUPAC Name:
2-chloropyridine-3-carboxylic acid

Results and discussion

Water solubility
Water solubility:
ca. 3 260 mg/L
Remarks on result:
other: temperature and pH is unknown

Applicant's summary and conclusion