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EC number: 260-370-6 | CAS number: 56765-79-8
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 4-aminobenzene-1,2-dicarbonitrile
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material : 4-aminobenzene-1,2-dicarbonitrile
- Common name : 3,4-dicyanoaniline
- Molecular formula : C8H5N3
- Molecular weight : 143.148 g/mol
- Smiles notation : N#Cc1c(C#N)ccc(N)c1
- InChl : 1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2
- Substance type : Organic
- Physical state : Solid - Key result
- Water solubility:
- 10 700 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimated data
- Conclusions:
- The estimated water solubility of 4-aminobenzene-1,2-dicarbonitrile at 25 deg C was 10700 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of 4-aminobenzene-1,2-dicarbonitrile.
The estimated water solubility of 4-aminobenzene-1,2-dicarbonitrile at 25 deg C was 10700 mg/l.
Based on the estimated value, 4-aminobenzene-1,2-dicarbonitrile was very soluble in water.
Reference
Description of key information
The estimated water solubility of 4-aminobenzene-1,2-dicarbonitrile at 25 deg C was 10700 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 10 700 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of 4-aminobenzene-1,2-dicarbonitrile.
The estimated water solubility of 4-aminobenzene-1,2-dicarbonitrile at 25 deg C was 10700 mg/l.
Based on the estimated value, 4-aminobenzene-1,2-dicarbonitrile was very soluble in water.
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