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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Melting point / freezing point

Currently viewing:

Administrative data

Endpoint:
melting point/freezing 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

Referenceopen allclose all

Reference Type:
other: Authoritative data base
Title:
Danish QSAR study for CAS No.: 98-37-3
Author:
Danish EPA Model
Year:
2012
Bibliographic source:
QSAR predictions by Danish Environmental Protection Agency (EPA)model powered by OASIS database:-EPI Suite (MPBPVP) Various versions of EPI Suite dating back from 1990-2004
Reference Type:
other: Prediction model
Title:
Melting 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: modelling database
Principles of method if other than guideline:
The melting point is estimated as a weighted average of the values calculated with the Joback method and the Gold and Ogle method.
EPI Suite estimation database
GLP compliance:
no
Type of method:
other: Gold and Ogle method

Test material

Constituent 1
Chemical structure
Reference substance name:
3-amino-4-hydroxybenzenesulphonic acid
EC Number:
202-662-8
EC Name:
3-amino-4-hydroxybenzenesulphonic acid
Cas Number:
98-37-3
Molecular formula:
C6H7NO4S
IUPAC Name:
3-amino-4-hydroxybenzenesulphonic acid
Test material form:
solid: crystalline
Details on test material:
- Name of test material : 3-amino-4-hydroxybenzenesulphonic acid
-Substance type-organic
-physical state-crystalline solid.

Results and discussion

Melting / freezing point
Melting / freezing pt.:
160.82 °C
Remarks on result:
other: other details not available

Applicant's summary and conclusion

Conclusions:
Melting point of 3-amino-4-hydroxybenzenesulphonic acid is estimated to be 160.82 deg C (Weighted Value)
Executive summary:

Melting point of 3-amino-4-hydroxybenzenesulphonic acid is estimated to be 160.82 deg C (Weighted Value)