2-Biphenylboronic acid

C₁₂H₁₁BO₂CAS 4688-76-0198.03 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₁₂H₁₁BO₂
Molar mass: 198.03 g/mol
Exact mass: 198.0852 Da
logP: 1.03Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4688-76-0

SMILES

B(C1=CC=CC=C1C2=CC=CC=C2)(O)O

InChIKey

HYCYKHYFIWHGEX-UHFFFAOYSA-N

InChI

InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H

Weigh it out

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

Names and synonyms

1 names

Biphenyl-2-boronic acid

Work with 2-Biphenylboronic 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

4-Phenylnaphthalene-1-boronic Acid372521-91-059 % similar B-(6-Phenyl-4-dibenzofuranyl)boronic acid1010068-85-558 % similar (6-Phenyldibenzo[B,D]thiophen-4-yl)boronic acid1115640-18-058 % similar O-Terphenyl84-15-150 % similar (2-Bromophenyl)boronic acid244205-40-148 % similar (2-Hydroxyphenyl)boronic acid89466-08-048 % similar 2-Methylphenylboronic acid16419-60-646 % similar 2-Fluorophenylboronic acid1993-03-946 % similar

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

Same formula

4-Biphenylboronic acid5122-94-1 Biphenyl-3-boronic acid5122-95-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook