2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₃H₁₈BBrO₂CAS 138500-85-3297.00 g/mol

Open in Covalent MOL file

Alkyl halide Boronic ester

Properties

Molecular formula: C₁₃H₁₈BBrO₂
Molar mass: 297.00 g/mol
Exact mass: 296.0583 Da
logP: 2.88Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage92.3% of notifiers
H318 Causes serious eye damage69.2% of notifiers

Aggregated from 26 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

138500-85-3

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr

InChIKey

CBUOGMOTDGNEAW-UHFFFAOYSA-N

InChI

InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

4-(Bromomethyl)benzeneboronic acid pinacol ester

Work with 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-167 % similar 4-(Hydroxymethyl)benzeneboronic acid pinacol ester302348-51-264 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-860 % similar 2-(4-Bromo-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane68716-49-459 % similar 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile138500-86-458 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-856 % similar Phenylboronic acid pinacol ester24388-23-655 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-8

Elsewhere

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