4-Biphenylboronic acid

C₁₂H₁₁BO₂CAS 5122-94-1198.03 g/mol

Open in Covalent MOL file

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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 11 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

5122-94-1

SMILES

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

InChIKey

XPEIJWZLPWNNOK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1,1'-Biphenyl-4-yl-boronic acid

Work with 4-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

4,4'-Biphenyldiboronic acid4151-80-879 % similar Phenylboronic acid98-80-670 % similar (6-Phenylnaphthalen-2-yl)boronic acid876442-90-969 % similar (3,5-Diphenylphenyl)boronic acid128388-54-567 % similar 1,4-Benzenediboronic acid4612-26-463 % similar 4-(2-Naphthyl)phenylboronic Acid918655-03-563 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-161 % similar 4-(4-Fluorophenyl)phenylboronic acid140369-67-160 % similar

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

Same formula

2-Biphenylboronic acid4688-76-0 Biphenyl-3-boronic acid5122-95-2

Elsewhere

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