Naphthalene-2-sulfonic acid

C₁₀H₈O₃SCAS 120-18-3208.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈O₃S
Molar mass: 208.23 g/mol
Exact mass: 208.0194 Da
Melting point: 91 °C
logP: 2.09Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed41.6% of notifiers
H314 Causes severe skin burns and eye damage99.2% of notifiers
H318 Causes serious eye damage80.4% of notifiers

Aggregated from 255 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

120-18-3

SMILES

O=S(=O)(O)c1ccc2ccccc2c1

InChIKey

KVBGVZZKJNLNJU-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O3S/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
β-Naphthalenesulfonic acid
β-Naphthylsulfonic acid
2-Naphthylsulfonic acid
2-Sulfonaphthalene
Dirinal NSK

Work with Naphthalene-2-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.

Naphthalene-2-sulfonic acid hydrate6036-00-6Hydrate Sodium 2-naphthalenesulfonate532-02-5Salt

Similar compounds

2,6-Naphthalenedisulfonic acid581-75-983 % similar 2,7-Naphthalenedisulfonic acid92-41-180 % similar 2-Naphthol-6-sulfonic acid93-01-667 % similar 6-Amino-2-naphthalenesulfonic acid93-00-565 % similar 8-Amino-2-naphthalenesulfonic acid119-28-857 % similar 5-Amino-2-naphthalenesulfonic acid119-79-957 % similar Benzenesulfonic acid98-11-356 % similar Naphthalene-2-sulfonamide1576-47-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Naphthalene-1-sulfonic acid85-47-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia