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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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:
2016
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: Modeling database
Principles of method if other than guideline:
EPI Suite estimation database
GLP compliance:
no
Type of method:
other: Estimation

Test material

Constituent 1
Chemical structure
Reference substance name:
2-amino-4,6-dinitrophenol
EC Number:
202-544-6
EC Name:
2-amino-4,6-dinitrophenol
Cas Number:
96-91-3
Molecular formula:
C6H5N3O5
IUPAC Name:
2-amino-4,6-dinitrophenol
Constituent 2
Reference substance name:
Picramic acid
IUPAC Name:
Picramic acid
Details on test material:
- Name of test material (as cited in study report): Picramic acid
- Molecular formula (if other than submission substance): C6H5N3O5
- Molecular weight (if other than submission substance): 199.12 g/mol
- Substance type: Organic
- Physical state: Solid

Results and discussion

Boiling point
Boiling pt.:
375.27 °C
Remarks on result:
other: Other details not available

Applicant's summary and conclusion

Conclusions:
Boiling point of Picramic acid was estimated to be 375.27°C
Executive summary:

Boiling point of Picramic acid was estimated to be 375.27°C