2-Naphthol-6-sulfonic acid

C₁₀H₈O₄SCAS 93-01-6224.23 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₁₀H₈O₄S
Molar mass: 224.23 g/mol
Exact mass: 224.0143 Da
Melting point: 125 °C
logP: 1.79Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage26% of notifiers
H315 Causes skin irritation72% of notifiers
H318 Causes serious eye damage25.3% of notifiers
H319 Causes serious eye irritation72.7% of notifiers

Aggregated from 150 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

93-01-6

SMILES

O=S(=O)(O)c1ccc2cc(O)ccc2c1

InChIKey

VVPHSMHEYVOVLH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)

Weigh it out

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

Names and synonyms

11 names

2-Naphthalenesulfonic acid, 6-hydroxy-
6-Hydroxy-2-naphthalenesulfonic acid
β-Naphtholsulfonic acid S
β-Naphthol-6-sulfonic acid
Schaeffer's acid
Schaeffer's β-acid
Schaeffer's β-naphtholsulfonic acid
2-Hydroxy-6-naphthalenesulfonic acid
Schaffer's acid
NSC 5871
2-Hydroxy-naphthalene-6-sulphonic acid

Work with 2-Naphthol-6-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 6-hydroxy-2-naphthalenesulfonate135-76-2Salt 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-9Salt

Similar compounds

2,6-Naphthalenedisulfonic acid581-75-977 % similar 2,7-Naphthalenedisulfonic acid92-41-168 % similar Naphthalene-2-sulfonic acid120-18-367 % similar 4-Hydroxybenzenesulfonic acid98-67-964 % similar Naphthalene-2-sulfonic acid hydrate6036-00-661 % similar 6-Amino-2-naphthalenesulfonic acid93-00-561 % similar 1-Naphthol-3,6-disulfonic acid578-85-859 % similar 2,6-Dihydroxynaphthalene581-43-154 % 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 1-Naphthol-4-sulfonic acid84-87-7

Elsewhere

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