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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Boiling point

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Administrative data

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Prediction model
Title:
Boiling point by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2011
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
MPBPVP (v1.43)
GLP compliance:
no
Type of method:
other: Adapted Stein & Brown method

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5-dinitrobenzoic acid
EC Number:
202-751-1
EC Name:
3,5-dinitrobenzoic acid
Cas Number:
99-34-3
Molecular formula:
C7H4N2O6
IUPAC Name:
3,5-dinitrobenzoic acid

Results and discussion

Boiling point
Boiling pt.:
380.3 °C
Remarks on result:
other: other details not available

Applicant's summary and conclusion

Conclusions:
Boiling point of the substance is found to be 380.30 deg C.