Registration Dossier

Administrative data

Endpoint:
carcinogenicity
Remarks:
other: not applicable
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: secondary data
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
On the relationship between the chemical structure and the carcinogenicity of polycyclic and chlorinated monocyclic aromatic compounds as studied by means of 13C-NMR
Author:
Sakamoto, Y and Watanabe, S
Year:
1986
Bibliographic source:
Bulletin of the Chemical Society of Japan, 59: 3033-3038

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
aromatic hydrocarbons with an ionization potential within any specified range show carcinogenic activity and that the carcinogenicity increases with a decrease in the potential energy. [13C]NMR chemical shifts are closely related to the electronic environments of the individual carbon and to the ionization potential and with that provide a measure wether or not an aromatic compound may have carcinogenic activity.
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
no data

Test animals

Species:
other: not applicable
Strain:
not specified
Sex:
not specified

Administration / exposure

Route of administration:
other: not applicable
Duration of treatment / exposure:
not applicable
Frequency of treatment:
not applicable
Post exposure period:
not applicable
Doses / concentrations
Remarks:
Doses / Concentrations:
not applicable
Basis:

No. of animals per sex per dose:
not applicable
Control animals:
other: not applicable

Results and discussion

Any other information on results incl. tables

2-chloroaniline was predicted to be noncarcinogenic based on the average chemical shift value determined by [13C]NMR.

Applicant's summary and conclusion