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EC number: 241-680-0 | CAS number: 17691-19-9
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of substance Sodium 4-chloro-3-nitrobenzenesulphonate
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- 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
- Water solubility:
- 1 000 000 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: estimated value
- Conclusions:
- The estimated water solubility of test substance Sodium 4-chloro-3-nitrobenzenesulphonate at 25 deg C was 1000000 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the substance Sodium 4-chloro-3-nitrobenzenesulphonate .
The estimated water solubility of the substance Sodium 4-chloro-3-nitrobenzenesulphonate at 25 deg C was 1000000 mg/l.
Based on the estimated value, the substance Sodium 4-chloro-3-nitrobenzenesulphonate was considered to be very soluble in water.
Reference
Description of key information
The estimated water solubility of test substance Sodium 4-chloro-3-nitrobenzenesulphonate at 25 deg C was 1000000 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 1 000 000 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the substance Sodium 4-chloro-3-nitrobenzenesulphonate .
The estimated water solubility of the substance Sodium 4-chloro-3-nitrobenzenesulphonate at 25 deg C was 1000000 mg/l.
Based on the estimated value, the substance Sodium 4-chloro-3-nitrobenzenesulphonate was considered to be very soluble in water.
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