Sodium 4-chloro-3-nitrobenzenesulphonate

Density

Link to relevant study record(s)

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

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.