4-Hydroxybenzenesulfonic acid

C₆H₆O₄SCAS 98-67-9174.17 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₆H₆O₄S
Molar mass: 174.17 g/mol
Exact mass: 173.9987 Da
Density: 1.34 g/mL
Melting point: 52 °C
Water solubility: miscible
logP: 0.64Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals68.9% of notifiers
H302 Harmful if swallowed48.7% of notifiers
H314 Causes severe skin burns and eye damage99.7% of notifiers
H318 Causes serious eye damage87.7% of notifiers
H335 May cause respiratory irritation30.8% of notifiers

Aggregated from 341 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

98-67-9

SMILES

O=S(=O)(O)c1ccc(O)cc1

InChIKey

FEPBITJSIHRMRT-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)

Weigh it out

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

Names and synonyms

8 names

Benzenesulfonic acid, 4-hydroxy-
Benzenesulfonic acid, p-hydroxy-
p-Hydroxybenzenesulfonic acid
p-Phenolsulfonic acid
4-Phenolsulfonic acid
p-Sulfophenol
4-Hydroxyphenylsulfonic acid
NSC 227908

Work with 4-Hydroxybenzenesulfonic 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 4-hydroxybenzenesulfonate825-90-1Salt Potassium p-hydroxybenzenesulfonate30145-40-5Salt Sodium P-phenolsulfonate dihydrate10580-19-5Salt Zinc phenolsulfonate127-82-2Salt

Similar compounds

(1,1'-Biphenyl)-4,4'-disulfonic acid5314-37-465 % similar 2-Naphthol-6-sulfonic acid93-01-664 % similar Bisphenol S80-09-158 % similar Benzenesulfonic acid98-11-358 % similar p-Toluenesulfonic acid104-15-458 % similar Sulfanilic acid121-57-358 % similar 4-Iodobenzenesulphonic acid13035-63-758 % similar 4-Fluorobenzenesulfonic acid368-88-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-Acetylmercaptosuccinic anhydride6953-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook