(4-Chloro-3-methoxyphenyl)boronic acid

C₇H₈BClO₃CAS 89694-47-3186.40 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BClO₃
Molar mass: 186.40 g/mol
Exact mass: 186.0255 Da
Melting point: 146–151 °C
logP: 0.03Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89694-47-3

SMILES

COc1cc(B(O)O)ccc1Cl

InChIKey

DZNNRXURZJLARZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BClO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

5 names

B-(4-Chloro-3-methoxyphenyl)boronic acid
Boronic acid, B-(4-chloro-3-methoxyphenyl)-
Benzeneboronic acid, 4-chloro-3-methoxy-
Boronic acid, (4-chloro-3-methoxyphenyl)-
4-Chloro-3-methoxyphenylboronic acid

Work with (4-Chloro-3-methoxyphenyl)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

3,4-Dimethoxyphenylboronic acid122775-35-368 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-660 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-760 % similar 3,4-Dichlorobenzeneboronic acid151169-75-458 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-257 % similar 3,4,5-Trimethoxybenzeneboronic acid182163-96-855 % similar 1,4-Dichloro-2-methoxybenzene1984-58-355 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-055 % similar

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

Same formula

3-Chloro-4-methoxybenzeneboronic acid175883-60-0 2-Chloro-4-methoxyphenylboronic acid219735-99-6 2-Chloro-6-methoxyphenylboronic acid385370-80-9 4-Chloro-2-methoxyphenylboronic acid762287-57-0 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-2 5-Chloro-2-methoxyphenylboronic acid89694-48-4 3-Chloro-5-methoxybenzeneboronic acid915201-07-9

Elsewhere

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