Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Justification for type of information:
ACD/Labs Percepta Platform - PhysChem Module

SMILES ClC(Cl)C(=O)Cl

SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The model fulfils the OECD principles for (Q)SAR model validation.
- Defined endpoint: Partition coefficient
- The data is published in the data base ChemSpider

APPLICABILITY DOMAIN
The substance falls within the applicability domain of the model; there is no contrary information.

Data source

Reference
Reference Type:
publication
Title:
Chemspider data base
Year:
2020
Bibliographic source:
http://www.chemspider.com

Materials and methods

Principles of method if other than guideline:
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module.
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Dichloroacetyl chloride
EC Number:
201-199-9
EC Name:
Dichloroacetyl chloride
Cas Number:
79-36-7
Molecular formula:
C2HCl3O
IUPAC Name:
2,2-dichloroacetyl chloride
Test material form:
liquid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.27
Remarks on result:
other: Temperature and pH are not published.

Applicant's summary and conclusion