(4-Fluoro-2-methylphenyl)boronic acid

C₇H₈BFO₂CAS 139911-29-8153.95 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₇H₈BFO₂
Molar mass: 153.95 g/mol
Exact mass: 154.0601 Da
logP: -0.19Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

139911-29-8

SMILES

Cc1cc(F)ccc1B(O)O

InChIKey

IQMLIVUHMSIOQP-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(4-fluoro-2-methylphenyl)-
Boronic acid, (4-fluoro-2-methylphenyl)-
B-(4-Fluoro-2-methylphenyl)boronic acid
(2-Methyl-4-fluorophenyl)boronic acid

Work with (4-Fluoro-2-methylphenyl)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

2,4-Difluorophenylboronic acid144025-03-660 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-060 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-858 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-256 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-156 % similar (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-156 % similar 2-Methyl-4-(trifluoromethyl)phenylboronic acid957034-45-656 % similar 2,5-Difluorophenylboronic acid193353-34-355 % similar

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

Same formula

4-Fluoro-3-methylphenylboronic acid139911-27-6 3-Fluoro-2-methylphenylboronic Acid163517-61-1 5-Fluoro-2-methylphenylboronic acid163517-62-2 2-Fluoro-5-methylphenylboronic acid166328-16-1 3-Fluoro-4-methylphenylboronic acid168267-99-0 2-Fluoro-4-methylphenylboronic acid170981-26-7 3-Fluoro-5-methylbenzeneboronic acid850593-06-5

Elsewhere

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