Sodium 4-hydroxybenzenesulfonate

C6H5NaO4SCAS 825-90-1196.15 g/mol

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O−SOOOHNa+
PhenolSulfonic acid

Properties

Molecular formula
C6H5NaO4S
Molar mass
196.15 g/mol
Exact mass
195.9806 Da
logP
0.26Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
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
825-90-1
SMILES
[O-]S(=O)(=O)c1ccc(O)cc1.[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

10 names
  • Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1)
  • Benzenesulfonic acid, p-hydroxy-, monosodium salt
  • Benzenesulfonic acid, 4-hydroxy-, monosodium salt
  • Sodium p-hydroxyphenylsulfonate
  • Sodium p-hydroxybenzenesulfonate
  • p-Hydroxybenzenesulfonic acid monosodium salt
  • 4-Hydroxybenzenesulfonic acid sodium salt
  • Sodium p-phenolsulfonate
  • p-Hydroxybenzenesulfonic acid sodium salt
  • p-Phenolsulfonic acid sodium salt

Work with Sodium 4-hydroxybenzenesulfonate

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.

Sodium P-phenolsulfonate dihydrate10580-19-5Hydrate 4-Hydroxybenzenesulfonic acid98-67-9Free acid Potassium p-hydroxybenzenesulfonate30145-40-5Salt Zinc phenolsulfonate127-82-2Salt

Similar compounds

Sodium 6-hydroxy-2-naphthalenesulfonate135-76-268 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-766 % similar Sodium benzenesulfonate515-42-459 % similar Sodium 4-methylbenzenesulfonate12068-03-059 % similar Sodium p-aminobenzenesulfonate515-74-259 % similar Sodium p-toluenesulfonate657-84-159 % similar Chrysoine resorcinol547-57-956 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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