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Physical & Chemical properties

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:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid.
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
Name of the test chemical: 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid
Molecular formula: C16H13NO7S2
Molecular weight: 395.4107 g/mol
Smiles Notation: c1cc(cc(c1)S(=O)(=O)O)Nc2ccc3cc(cc(c3c2)O)S(=O)(=O)O
InChI: 1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
Substance Type: Organic
Physical State: Solid
Key result
Water solubility:
156.9 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: no other details available
Conclusions:
The estimated water solubility of substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid at 25 deg C was 156.9 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid

The estimated water solubility of the substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid at 25 deg C was 156.9 mg/l

Based on the estimated value, the substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was moderately soluble in water.

Description of key information

The estimated water solubility of substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid at 25 deg C was 156.9 mg/l.

Key value for chemical safety assessment

Water solubility:
156.9 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid

The estimated water solubility of the substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid at 25 deg C was 156.9 mg/l

Based on the estimated value, the substance 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was moderately soluble in water.