Registration Dossier
Registration Dossier
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EC number: 205-080-2 | CAS number: 132-87-6
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 from ACD/Labs
- Specific details on test material used for the study:
- - Name of test material :7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid
- Molecular formula: C17H13NO5S
- Molecular weight : 343.3577 g/mol
- Smiles notation : c1ccc(cc1)C(=O)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
- InChl:1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
- Substance type:Organic
- Physical state:Solid - Type:
- density
- Density:
- 1.535 g/cm³
- Remarks on result:
- other: Estimated value is 1.535 ± 0.06 g/cm3
- Conclusions:
- Based on prediction done using ACD/I-Lab 2.0,the density of chemical 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1.535 ± 0.06 g/cm3
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1.535 ± 0.06 g/cm3
Reference
Description of key information
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1.535 ± 0.06 g/cm3
Key value for chemical safety assessment
- Relative density at 20C:
- 1.535
Additional information
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1.535 ± 0.06 g/cm3.
Other supporting study from authoritative database also indicates that the density of chemical 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1.535±0.06 g/cm3 at 20 degree C and 760 torr pressure,which is same as selected key study value.
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