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Density

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Reference
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: 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid
- IUPAC name: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mole
- Smiles : c1c2cc(c(cc2c(cc1S(=O)(=O)O)O)N)S(=O)(=O)O
- Inchl: 1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
- Substance type: Organic
- Physical state: Solid (Light grey, to, Off-white) powder
Key result
Type:
density
Density:
1.88 g/cm³
Remarks on result:
other: Estimated value is 1.880 ± 0.06 g/cm3
Conclusions:
Based on prediction done using ACD/I-Lab 2.0, the density of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was estimated to be 1.880 ± 0.06 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was estimated to be 1.880 ± 0.06 g/cm3.

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was estimated to be 1.880 ± 0.06 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.88

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was estimated to be 1.880 ± 0.06 g/cm3.

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