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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
See attached file

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
QSRA with out guideline

Test material

Constituent 1
Chemical structure
Reference substance name:
3-chlorobenzonitrile
EC Number:
212-172-6
EC Name:
3-chlorobenzonitrile
Cas Number:
766-84-7
Molecular formula:
C7H4ClN
IUPAC Name:
3-chlorobenzonitrile
impurity 1
Chemical structure
Reference substance name:
4-chlorobenzonitrile
EC Number:
210-765-4
EC Name:
4-chlorobenzonitrile
Cas Number:
623-03-0
Molecular formula:
C7H4ClN
IUPAC Name:
4-chlorobenzonitrile
impurity 2
Chemical structure
Reference substance name:
Benzonitrile
EC Number:
202-855-7
EC Name:
Benzonitrile
Cas Number:
100-47-0
Molecular formula:
C7H5N
IUPAC Name:
benzonitrile
Test material form:
solid: bulk

Results and discussion

Melting / freezing point
Melting / freezing pt.:
41 °C
Atm. press.:
1 013 hPa
Decomposition:
no
Sublimation:
no

Applicant's summary and conclusion

Conclusions:
3-Chlorobenzonitrile has a melting point of 41 °C at 1013 hPa
Executive summary:

3-Chlorobenzonitrile has a melting point of 41 °C at 1013 hPa, by QSAR prediction

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