(4-Bromophenyl)boronic acid

C₆H₆BBrO₂CAS 5467-74-3200.83 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₆BBrO₂
Molar mass: 200.83 g/mol
Exact mass: 199.9644 Da
Melting point: 191 °C
logP: 0.13Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation98.2% of notifiers
H319 Causes serious eye irritation98.2% of notifiers
H335 May cause respiratory irritation96.4% of notifiers

Aggregated from 56 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

5467-74-3

SMILES

OB(O)c1ccc(Br)cc1

InChIKey

QBLFZIBJXUQVRF-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H

Weigh it out

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

Names and synonyms

10 names

Boronic acid, B-(4-bromophenyl)-
Benzeneboronic acid, p-bromo-
Boronic acid, (4-bromophenyl)-
B-(4-Bromophenyl)boronic acid
p-Bromobenzeneboronic acid
4-Bromophenylboric acid
p-Bromophenylboric acid
(p-Bromophenyl)boronic acid
4-Bromobenzeneboronic acid
NSC 25407

Work with (4-Bromophenyl)boronic 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'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride)480996-05-286 % similar 1,4-Benzenediboronic acid4612-26-467 % similar 4-Hydroxyphenylboronic acid71597-85-859 % similar 4,4'-Biphenyldiboronic acid4151-80-857 % similar 3,5-Dibromobenzeneboronic acid117695-55-357 % similar 1,4-Dibromobenzene106-37-650 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar 4-Fluorophenylboronic acid1765-93-150 % similar

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

Same formula

(2-Bromophenyl)boronic acid244205-40-1 (3-Bromophenyl)boronic acid89598-96-9

Elsewhere

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