Registration Dossier
Registration Dossier
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EC number: 204-857-3 | CAS number: 127-68-4
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Modelling database
- Justification for type of information:
- Data from modelling database
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- estimate boiling point of sodium 3-nitrobenzenesulfonate
- GLP compliance:
- no
- Type of method:
- other: Adapted Stein and Brown Method
- Specific details on test material used for the study:
- - Name of test material : Sodium 3-nitrobenzenesulphonate
- Molecular formula : C6H4NNaO5S
- Molecular weight : 225.1556 g/mol
- Smiles notation : c1(cc(ccc1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
- InChl : 1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
- Substance type : Organic
- Physical state : Solid - Key result
- Boiling pt.:
- 577.06 °C
- Decomposition:
- no
- Remarks on result:
- other: Estimated via Adapted Stein and Brown Method
- Conclusions:
- The boiling point of sodium 3-nitrobenzenesulphonate was estimated to be 577.06 degC by means of Adapted Stein and Brown Method.
- Executive summary:
The boiling point of sodium 3-nitrobenzenesulphonate was estimated to be 577.06 degC by means of Adapted Stein and Brown Method.
Reference
Description of key information
The boiling point of sodium 3-nitrobenzenesulphonate was estimated to be 577.06 degC.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 577.06 °C
Additional information
The boiling point of sodium 3-nitrobenzenesulphonate was estimated to be 577.06 degC by means of Adapted Stein and Brown Method.
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