[2-(Bromomethyl)phenyl]boronic acid

C₇H₈BBrO₂CAS 91983-14-1214.85 g/mol

Open in Covalent MOL file

Alkyl halide Boronic acid

Properties

Molecular formula: C₇H₈BBrO₂
Molar mass: 214.85 g/mol
Exact mass: 213.9801 Da
logP: 0.26Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation95.9% of notifiers
H319 Causes serious eye irritation95.9% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 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

91983-14-1

SMILES

B(C1=CC=CC=C1CBr)(O)O

InChIKey

MYVJCOQGXCONPE-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BBrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2

Weigh it out

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

Names and synonyms

1 names

2-Bromomethylphenylboronic acid

Work with [2-(Bromomethyl)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

2-Hydroxymethylphenylboronic acid87199-14-261 % similar 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-159 % similar Xylylene dibromide91-13-454 % similar 2-Methoxymethylphenylboronic acid126617-98-953 % similar 2-(N,N-Dimethylaminomethyl)phenylboronic acid85107-53-553 % similar (2-Bromophenyl)boronic acid244205-40-150 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-849 % similar 2-Chlorophenylboronic acid3900-89-848 % similar

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

Same formula

3-(Bromomethyl)phenylboronic acid51323-43-4 4-(Bromomethyl)phenylboronic acid68162-47-0

Elsewhere

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