(1,1'-Biphenyl)-4-sulfonic acid

C12H10O3SCAS 2113-68-0234.27 g/mol

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Sulfonic acid

Properties

Molecular formula
C12H10O3S
Molar mass
234.27 g/mol
Exact mass
234.0351 Da
Melting point
138–140 °C
logP
2.60Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
2113-68-0
SMILES
O=S(=O)(O)c1ccc(-c2ccccc2)cc1
InChIKey
XDTYUYVIGLIFCW-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)

Weigh it out

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

Names and synonyms

6 names
  • [1,1′-Biphenyl]-4-sulfonic acid
  • 4-Biphenylsulfonic acid
  • p-Biphenylsulfonic acid
  • 4-Sulfobiphenyl
  • Diphenyl-4-sulfonic acid
  • NSC 158280

Work with (1,1'-Biphenyl)-4-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

Similar compounds

(1,1'-Biphenyl)-4,4'-disulfonic acid5314-37-482 % similar Benzenesulfonic acid98-11-374 % similar 4-Hydroxybenzenesulfonic acid98-67-956 % similar p-Toluenesulfonic acid104-15-454 % similar Sulfanilic acid121-57-354 % similar 4-Iodobenzenesulphonic acid13035-63-754 % similar 4-Fluorobenzenesulfonic acid368-88-754 % similar 4-Chlorobenzenesulfonic acid98-66-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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