(4-Chlorophenyl)boronic acid

C₆H₆BClO₂CAS 1679-18-1156.37 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₆BClO₂
Molar mass: 156.37 g/mol
Exact mass: 156.0149 Da
Melting point: 260 °C
logP: 0.02Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed77.4% of notifiers
H312 Harmful in contact with skin71% of notifiers
H315 Causes skin irritation19.4% of notifiers
H319 Causes serious eye irritation19.4% of notifiers
H332 Harmful if inhaled71% of notifiers
H335 May cause respiratory irritation17.7% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1679-18-1

SMILES

OB(O)c1ccc(Cl)cc1

InChIKey

CAYQIZIAYYNFCS-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BClO2/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

9 names

Boronic acid, B-(4-chlorophenyl)-
Benzeneboronic acid, p-chloro-
Boronic acid, (4-chlorophenyl)-
B-(4-Chlorophenyl)boronic acid
(p-Chlorophenyl)boronic acid
p-Chlorobenzeneboronic acid
4-Chlorobenzeneboronic acid
NSC 25408
4-Chlorophenylboronic acid

Work with (4-Chlorophenyl)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'-Chloro-4-biphenylboronic acid364044-44-086 % similar 1,4-Benzenediboronic acid4612-26-467 % similar 4,4'-Biphenyldiboronic acid4151-80-857 % similar 3,5-Dichlorophenylboronic acid67492-50-657 % similar 4-Hydroxyphenylboronic acid71597-85-852 % similar 5-Chloropyridine-2-boronic acid652148-91-952 % similar 1,4-Dichlorobenzene106-46-750 % similar 3,4-Dichlorobenzeneboronic acid151169-75-450 % similar

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

Same formula

2-Chlorophenylboronic acid3900-89-8 3-Chlorophenylboronic acid63503-60-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook