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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:
equivalent or similar to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of test substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid
- IUPAC name: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mole
- Smiles : c1c2cc(c(cc2c(cc1S(=O)(=O)O)O)N)S(=O)(=O)O
- Inchl: 1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
- Substance type: Organic
- Physical state: Solid (Light grey, to, Off-white) powder
Key result
Water solubility:
35 360 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 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid at 25 deg C was 35360 mg/l
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid .

The estimated water solubility of the substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid at 25 deg C was 35360 mg/l.

Based on the estimated value, the substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was very soluble in water.

Description of key information

The estimated water solubility of test substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid at 25 deg C was  35360 mg/l

Key value for chemical safety assessment

Water solubility:
35 360 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the test substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid .

The estimated water solubility of the test substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid at 25 deg C was 35360 mg/l.

Based on the estimated value, the test substance 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid is very soluble in water.

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