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Physical & Chemical properties

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:
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 the test material: Sodium 4-chloro-3-nitrobenzenesulphonate
- IUPAC Name : sodium 4-chloro-3-nitrobenzene-1-sulfonate
- Molecular formula: C6H4ClNO5SNa
- Molecular weight: 259.601 g/mol
- Smiles: S(=O)(=O)([O-])c1cc([N+]([O-])=O)c(Cl)cc1.[Na+]
- InChI: 1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid powder (Off white to pale yellow)
Key result
Type:
density
Density:
1.747 g/cm³
Remarks on result:
other: Estimated value is 1.747 ± 0.06 g/cm3
Conclusions:
The density of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 1.747 ± 0.06 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 1.747 ± 0.06 g/cm3.

Description of key information

The density of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 1.747 ± 0.06 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.747

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 4-chloro-3-nitrobenzenesulphonate was estimated to be 1.747 ± 0.06 g/cm3.