4,4'-Biphenyldiboronic acid

C₁₂H₁₂B₂O₄CAS 4151-80-8241.84 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂B₂O₄
Molar mass: 241.84 g/mol
Exact mass: 242.0922 Da
logP: -1.29Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

4151-80-8

SMILES

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

InChIKey

SLHKDOGTVUCXKX-UHFFFAOYSA-N

InChI

InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H

Weigh it out

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Work with 4,4'-Biphenyldiboronic 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

1,4-Benzenediboronic acid4612-26-480 % similar 4-Biphenylboronic acid5122-94-179 % similar 4-(4-Fluorophenyl)phenylboronic acid140369-67-171 % similar 4'-Chloro-4-biphenylboronic acid364044-44-071 % similar 4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride)480996-05-271 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-460 % similar 4-Hydroxyphenylboronic acid71597-85-860 % similar 4-(2-Naphthyl)phenylboronic Acid918655-03-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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