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EC number: 612-023-9 | CAS number: 607724-37-8
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 test substance 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]diazenyl] -8-[2-[2-sulfo-4-[[2-(sulfooxy) ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)- Molecular formula: C26H25N5O19S6.4Na- Molecular weight: 995.85 g/mole- Smiles : [Na][Na][Na][Na]Nc1ccc2c(cc(S(O)(=O)=O)c(N=Nc3ccc(S(=O)(=O)CCOS(O)(=O)=O)cc3)c2O)c1N=Nc1ccc(S(=O)(=O)CCOS(O)(=O)=O) cc1S(O)(=O)=O- Substance type: Organic- Physical state: Solid powder
- Key result
- Water solubility:
- 358 000 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: estimated value
- Conclusions:
- The estimated water solubility of test substance 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]diazenyl] -8-[2-[2-sulfo-4-[[2-(sulfooxy) ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) at 25 deg C was 358000 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the given test substance.
The estimated water solubility of the test substance 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]diazenyl] -8-[2-[2-sulfo-4-[[2-(sulfooxy) ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) at 25 deg C was 358000 mg/l.
Based on the estimated value, the given test substance was considered to be very soluble in water.
Reference
Description of key information
The estimated water solubility of test substance 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]diazenyl] -8-[2-[2-sulfo-4-[[2-(sulfooxy) ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) at 25 deg C was 358000 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 358 000 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the given test substance.
The estimated water solubility of the test substance 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]diazenyl] -8-[2-[2-sulfo-4-[[2-(sulfooxy) ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) at 25 deg C was 358000 mg/l.
Based on the estimated value, the given test substance was considered to be very soluble in water.
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