B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid

C₇H₅BF₄O₂CAS 182344-23-6207.92 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Boronic acid

Properties

Molecular formula: C₇H₅BF₄O₂
Molar mass: 207.92 g/mol
Exact mass: 208.0319 Da
Density: 1.5 g/mL
Melting point: 267–269 °C
logP: 0.52Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
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, 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

182344-23-6

SMILES

OB(O)c1ccc(F)c(C(F)(F)F)c1

InChIKey

GUJYFCBXDUPORN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BF4O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-[4-fluoro-3-(trifluoromethyl)phenyl]-
Boronic acid, [4-fluoro-3-(trifluoromethyl)phenyl]-
[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid
3-(Trifluoromethyl)-4-fluorophenylboronic acid
4-Fluoro-3-(trifluoromethyl)benzeneboronic acid

Work with B-[4-Fluoro-3-(trifluoromethyl)phenyl]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-3-(trifluoromethyl)benzeneboronic acid176976-42-462 % similar (3,4-Difluorophenyl)boronic acid168267-41-260 % similar 3-Chloro-4-(trifluoromethyl)phenylboronic acid847756-88-157 % similar 3-Trifluoromethyl-4-methoxy-phenylboronic acid149507-36-857 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-155 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-453 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-653 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzeneboronic acid157834-21-4 4-Fluoro-2-(trifluoromethyl)benzeneboronic acid182344-16-7 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-7 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-3

Elsewhere

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