chempirical

Sodium 2-naphthalenesulfonate

C10H7NaO3SCAS 532-02-5230.21 g/mol

Open in Covalent MOL file
O−SOONa+
Sulfonic acid

Properties

Molecular formula
C10H7NaO3S
Molar mass
230.21 g/mol
Exact mass
230.0014 Da
Melting point
172–173 °C
logP
1.71Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
532-02-5
SMILES
[O-]S(=O)(=O)c1ccc2ccccc2c1.[Na+]
InChIKey
ULODLFDKFVIYFY-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);

Weigh it out

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

Names and synonyms

6 names
  • 2-Naphthalenesulfonic acid, sodium salt (1:1)
  • 2-Naphthalenesulfonic acid, sodium salt
  • β-Naphthalenesulfonic acid sodium salt
  • Sodium β-naphthalenesulfonate
  • Sodium naphthalene-6-sulfonate
  • Sodium naphthalene-2-sulphonate

Work with Sodium 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

Similar compounds

Disodium 2,6-naphthalenedisulfonate1655-45-485 % similar Formaldehyde-β-naphthalenesulfonic acid polymer sodium salt36290-04-784 % similar Disodium 2,7-naphthalenedisulfonate1655-35-281 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-567 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-267 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-765 % similar Disodium 1,6-naphthalenedisulfonate1655-43-263 % similar Disodium m-benzenedisulfonate831-59-462 % similar

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

Same formula

Sodium 1-naphthalenesulfonate130-14-3

Elsewhere

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