chempirical

Sodium 6-hydroxy-2-naphthalenesulfonate

C10H7NaO4SCAS 135-76-2246.21 g/mol

Open in Covalent MOL file
O−SOOOHNa+
PhenolSulfonic acid

Properties

Molecular formula
C10H7NaO4S
Molar mass
246.21 g/mol
Exact mass
245.9963 Da
Melting point
123 °C
logP
1.41Crippen 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. Search the SDS library

Identifiers

CAS number
135-76-2
SMILES
[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1.[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

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Names and synonyms

10 names
  • 2-Naphthalenesulfonic acid, 6-hydroxy-, sodium salt (1:1)
  • 2-Naphthalenesulfonic acid, 6-hydroxy-, monosodium salt
  • Schaeffer's salt
  • Sodium β-naphthol-6-sulfonate
  • 2-Naphthol-6-sodium sulfonate
  • Schaeffer salt
  • Sodium 2-naphthol-6-sulfonate
  • 2-Naphthol-6-sulfonic acid sodium salt
  • 6-Sulfo-2-naphthol sodium salt
  • 2-Hydroxy-6-naphthalenesulfonic acid sodium salt

Work with Sodium 6-hydroxy-2-naphthalenesulfonate

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.

2-Naphthol-6-sulfonic acid93-01-6Free acid 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-9Salt

Similar compounds

Disodium 2,6-naphthalenedisulfonate1655-45-476 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-571 % similar Disodium 2,7-naphthalenedisulfonate1655-35-268 % similar Sodium 4-hydroxybenzenesulfonate825-90-168 % similar Sodium 2-naphthalenesulfonate532-02-567 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-566 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-363 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium 7-hydroxy-2-naphthalenesulfonate135-55-7 Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-2 Sodium 1-naphthol-4-sulfonate6099-57-6

Elsewhere

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