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EC number: 229-029-9 | CAS number: 6406-56-0
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- 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 developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the Melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- - Name of test material: Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate
- IUPAC name: Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate
- Molecular formula: C22H15N4O4S.Na
- Molecular weight: 455.448 g/mole
- Smiles : c12c(\N=N\c3ccc(\N=N\c4ccc(S(O)(=O)=O)cc4)cc3)c(ccc1cccc2)O.[Na+]
- Inchl: 1S/C22H16N4O4S.Na/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30;/h1-14,27H, (H,28,29,30);/q;+1/b24-23+,26-25+;
- Substance type: Organic
- Physical state: Solid powder (red to brown) - Key result
- Melting / freezing pt.:
- 349.84 °C
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43, the melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was estimated to be 349.84 ˚C.
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was predicted.
The melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was estimated to be 349.84 ˚C
Reference
Description of key information
Based on prediction done using MPBPVP v1.43, the melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was estimated to be 349.84 ˚C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 349.84 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was predicted.
The melting point of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was estimated to be 349.84 ˚C.
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