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EC number: 241-680-0 | CAS number: 17691-19-9
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:
- accepted calculation method
- Justification for type of information:
- Data is from modelling database developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the Boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- - Name of the test material: Sodium 4-chloro-3-nitrobenzenesulphonate
- IUPAC Name : sodium 4-chloro-3-nitrobenzene-1-sulfonate
- Molecular formula: C6H4ClNO5SNa
- Molecular weight: 259.601 g/mol
- Smiles: S(=O)(=O)([O-])c1cc([N+]([O-])=O)c(Cl)cc1.[Na+]
- InChI: 1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid powder (Off white to pale yellow) - Key result
- Boiling pt.:
- 595.75 °C
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43, the Boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 595.75 ˚C
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was predicted.
The boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 595.75 ˚C.
Reference
Description of key information
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 595.75 ˚C
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 595.75 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was predicted.
The boiling point of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 595.75 ˚C.
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