Sodium benzenesulfonate

C6H5NaO3SCAS 515-42-4180.15 g/mol

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O−SOONa+
Sulfonic acid

Properties

Molecular formula
C6H5NaO3S
Molar mass
180.15 g/mol
Exact mass
179.9857 Da
logP
0.55Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
515-42-4
SMILES
[O-]S(=O)(=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.

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Names and synonyms

7 names
  • Benzenesulfonic acid, sodium salt (1:1)
  • Benzenesulfonic acid, sodium salt
  • Sodium benzosulfonate
  • Sodium phenylsulfonate
  • Sodium benzene monosulfonate
  • Dispersant GN
  • Supragil GN

Work with Sodium benzenesulfonate

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 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.

Benzenesulfonic acid98-11-3Free acid Amlodipine besylate111470-99-6Salt Bepotastine besilate190786-44-8Salt Atracurium besylate64228-81-5Salt Cisatracurium besylate96946-42-8Salt DS 5565 besylate1138245-21-2Salt 4-Formyl-1-methylpyridinium benzenesulphonate82228-89-5Salt R406841290-81-1Salt

Similar compounds

Disodium m-benzenedisulfonate831-59-471 % similar Sodium diphenylamine-4-sulfonate6152-67-668 % similar Sodium 4-methylbenzenesulfonate12068-03-059 % similar Sodium p-aminobenzenesulfonate515-74-259 % similar Sodium p-toluenesulfonate657-84-159 % similar Sodium 4-hydroxybenzenesulfonate825-90-159 % similar Sodium 2-naphthalenesulfonate532-02-559 % similar Sodium m-aminobenzenesulfonate1126-34-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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