1-Naphthol-4-sulfonic acid

C10H8O4SCAS 84-87-7224.23 g/mol

Open in Covalent MOL file
OSOOHOH
PhenolSulfonic acid

Properties

Molecular formula
C10H8O4S
Molar mass
224.23 g/mol
Exact mass
224.0143 Da
Melting point
170 °C (decomposes)
logP
1.79Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 124 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
84-87-7
SMILES
O=S(=O)(O)c1ccc(O)c2ccccc12
InChIKey
HGWQOFDAUWCQDA-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1-Naphthalenesulfonic acid, 4-hydroxy-
  • 4-Hydroxy-1-naphthalenesulfonic acid
  • α-Naphthol-4-sulfonic acid
  • Nevile and Winther's acid
  • 1,4-Oxy acid
  • 1-Hydroxy-4-naphthalenesulfonic acid
  • NW Acid
  • NSC 9587
  • 1-Hydroxy-naphthalene-4-sulphonic acid

Work with 1-Naphthol-4-sulfonic acid

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 1-naphthol-4-sulfonate6099-57-6Salt

Similar compounds

Armstrong's acid81-04-964 % similar 8-Hydroxyquinoline-5-sulfonic acid84-88-861 % similar Naphthionic acid84-86-661 % similar 1-Amino-2-naphthol-4-sulfonic acid116-63-258 % similar Naphthalene-1,5-disulfonic acid tetrahydrate211366-30-258 % similar 8-Hydroxyquinoline-5-sulfonic acid monohydrate283158-18-956 % similar Naphthalene-1-sulfonic acid85-47-256 % similar S Acid83-64-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Naphthol-8-sulfonic acid117-22-6 L Acid117-59-9 2-Naphthol-6-sulfonic acid93-01-6

Elsewhere

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