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Water solubility

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Reference
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.

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.