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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Constituent 1
Chemical structure
Reference substance name:
3,4-dichloroaniline
EC Number:
202-448-4
EC Name:
3,4-dichloroaniline
Cas Number:
95-76-1
Molecular formula:
C6H5Cl2N
IUPAC Name:
3,4-dichloroaniline
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
No. of animals per sex per dose:
not applicable

Results and discussion

Any other information on results incl. tables

3,4 -dichloroaniline was predicted to be noncarcinogenic based on the average chemical shift value determined by [13C]NMR.

Applicant's summary and conclusion