Registration Dossier
Registration Dossier
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EC number: 227-492-1 | CAS number: 5858-51-5
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Prediction models generally accepted.
Data source
Reference
- Reference Type:
- other:
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculation of the melting point by MPBPVP v1.43
- Type of method:
- other: calculation
Test material
- Reference substance name:
- C1=CC2=C(C=C/C(=N\NC3=CC=C(C=C3)N)/C2=O)C(=C1)S(=O)(=O)[O-].[Na+]
- IUPAC Name:
- C1=CC2=C(C=C/C(=N\NC3=CC=C(C=C3)N)/C2=O)C(=C1)S(=O)(=O)[O-].[Na+]
Constituent 1
Results and discussion
Boiling point
- Boiling pt.:
- ca. 772 °C
- Atm. press.:
- 1 atm
- Decomposition:
- yes
- Decomp. temp.:
- > 200 °C
Applicant's summary and conclusion
- Conclusions:
- The calculated melting point of Acid Brown 4 is predicted to be ca 772 °C
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