2-Chloro-4-methoxyphenylboronic acid

C₇H₈BClO₃CAS 219735-99-6186.40 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
logP: 0.03Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

219735-99-6

SMILES

B(C1=C(C=C(C=C1)OC)Cl)(O)O

InChIKey

LOCGPWGCRVKCFN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-methoxybenzeneboronic acid

Work with 2-Chloro-4-methoxyphenylboronic 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

2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)313545-44-764 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-464 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-062 % similar (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-760 % similar 2,5-Dimethoxyphenylboronic acid107099-99-059 % similar 1,2-Dichloro-4-methoxybenzene36404-30-558 % similar 2-Chloro-4-methoxyphenol18113-03-656 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-methoxybenzeneboronic acid175883-60-0 2-Chloro-6-methoxyphenylboronic acid385370-80-9 4-Chloro-2-methoxyphenylboronic acid762287-57-0 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-2 (4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 5-Chloro-2-methoxyphenylboronic acid89694-48-4 3-Chloro-5-methoxybenzeneboronic acid915201-07-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook