Sodium 5-hydroxy-1-naphthalenesulfonate

C10H7NaO4SCAS 5419-77-2246.21 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
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.

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Identifiers

CAS number
5419-77-2
SMILES
[O-]S(=O)(=O)c1cccc2c(O)cccc12.[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

6 names
  • 1-Naphthalenesulfonic acid, 5-hydroxy-, sodium salt (1:1)
  • 1-Naphthalenesulfonic acid, 5-hydroxy-, monosodium salt
  • 1-Naphthol-5-sodium sulfonate
  • 1-Naphthol-5-sulfonic acid sodium salt
  • Sodium 1-naphthol-5-sulfonate
  • Sodium 5-hydroxynaphthalenesulfonate

Work with Sodium 5-hydroxy-1-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.

L Acid117-59-9Free acid

Similar compounds

Disodium 1,5-naphthalenedisulfonate1655-29-476 % similar Sodium O-phenolsulfonate1300-51-269 % similar Sodium 1-naphthalenesulfonate130-14-362 % similar Sodium naphthionate130-13-253 % similar 2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-752 % similar Pyranine6358-69-651 % similar 8-Amino-1-naphthol-5,7-disulfonic acid monosodium salt52789-62-551 % similar Acid brown M5850-16-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium 7-hydroxy-2-naphthalenesulfonate135-55-7 Sodium 6-hydroxy-2-naphthalenesulfonate135-76-2 Sodium 1-naphthol-4-sulfonate6099-57-6

Elsewhere

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