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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 the test chemical: sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate
Molecular Formula: C12H10N3NaO5S
Molecular Weight: 331.283 g/mol
Smiles Notation: c1cc(ccc1N)Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
Substance type: Organic
Physical State: Solid
Key result
Type:
density
Density:
ca. 1.607 g/cm³
Remarks on result:
other: Estimated value 1.607 ± 0.06 g/cm3
Conclusions:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate was estimated to be 1.607 ± 0.06 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate was estimated to be 1.607 ± 0.06 g/cm3.

Description of key information

Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate was estimated to be 1.607 ± 0.06 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.607

Additional information

Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate was estimated to be 1.607 ± 0.06 g/cm3.