Naphthalene-1-sulfonic acid

C10H8O3SCAS 85-47-2208.23 g/mol

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Sulfonic acid

Properties

Molecular formula
C10H8O3S
Molar mass
208.23 g/mol
Exact mass
208.0194 Da
Melting point
140 °C
logP
2.09Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 268 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number
85-47-2
SMILES
O=S(=O)(O)c1cccc2ccccc12
InChIKey
PSZYNBSKGUBXEH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1-Naphthalenesulfonic acid
  • α-Naphthalenesulfonic acid
  • HT 907
  • 1-Sulfonaphthalene
  • 1-Naphthylsulfonic acid

Work with Naphthalene-1-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-naphthalenesulfonate130-14-3Salt

Similar compounds

Armstrong's acid81-04-976 % similar Naphthalene-1,5-disulfonic acid tetrahydrate211366-30-268 % similar 5-Isoquinolinesulfonic acid27655-40-964 % similar 6-Aminonaphthalene-1-sulphonic acid81-05-062 % similar L Acid117-59-961 % similar Laurent acid84-89-959 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-458 % similar 1-Naphthol-4-sulfonic acid84-87-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Naphthalene-2-sulfonic acid120-18-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia