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EC number: 229-029-9 | CAS number: 6406-56-0
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- density, other
- Remarks:
- Density
- 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:
- Predicted data from ACD/Labs
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- ACD/I-Lab accepts smiles of test item and predicted data for density using v12.1.0.50375.
- GLP compliance:
- not specified
- Type of method:
- other: predicted data
- 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
- Type:
- density
- Density:
- 1.41 g/cm³
- Remarks on result:
- other: Estimated value is 1.41 ± 0.1 g/cm3
- Conclusions:
- The density of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was estimated to be 1.41 ± 0.1 g/cm3.
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo) benzenesulphonate was estimated to be 1.41 ± 0.1 g/cm3.
Reference
Description of key information
The density of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate was estimated to be 1.41 ± 0.1 g/cm3.
Key value for chemical safety assessment
- Relative density at 20C:
- 1.41
Additional information
Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo) benzenesulphonate was estimated to be 1.41 ± 0.1 g/cm3.
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