Sodium benzenesulfinate
Properties
- Molecular formula
- C6H5NaO2S
- Molar mass
- 164.15 g/mol
- Exact mass
- 163.9908 Da
- Melting point
- above 300 °C
- Boiling point
- 83–84 °C
- logP
- 0.89Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Not classified as hazardous under GHS by 62 ECHA notifiers. Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
873-55-2SMILES
[O-]S(=O)c1ccccc1.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenesulfinic acid, sodium salt (1:1)
- Benzenesulfinic acid, sodium salt
- Sodium phenylsulfinate
- NSC 135147
- NSC 30629
Work with Sodium benzenesulfinate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Sodium p-chlorobenzenesulfinate14752-66-061 % similar
Sodium p-toluenesulfinate824-79-361 % similar
Sodium p-fluorobenzenesulfinate824-80-661 % similar
P-Toluenesulfinic acid sodium salt tetrahydrate868858-48-455 % similar
Sodium 4-acetamidobenzene-1-sulfinate15898-43-847 % similar
Zinc 4-methylbenzenesulfinate24345-02-645 % similar
Methyl phenyl sulfoxide1193-82-444 % similar
Diphenyl sulfoxide945-51-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.