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

C₇H₁₄BBrO₂CAS 166330-03-6220.90 g/mol

Open in Covalent MOL file

Alkyl halide Boronic ester

Properties

Molecular formula: C₇H₁₄BBrO₂
Molar mass: 220.90 g/mol
Exact mass: 220.0270 Da
logP: 2.01Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor60% of notifiers
H227 Combustible liquid20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

166330-03-6

SMILES

B1(OC(C(O1)(C)C)(C)C)CBr

InChIKey

KBGMAXNDJAGTDD-UHFFFAOYSA-N

InChI

InChI=1S/C7H14BBrO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3

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Names and synonyms

1 names

Bromomethylboronic acid, pinacol ester

Work with 2-(Bromomethyl)-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

Bis[(pinacolato)boryl]methane78782-17-957 % similar 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane72824-04-544 % similar Bis(pinacolato)diboron73183-34-343 % similar Benzylboronic acid pinacol ester87100-28-540 % similar Methyl boronic acid pinacol ester94242-85-039 % similar 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane126689-01-838 % similar 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane138500-85-336 % similar 2-[(4-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane243145-83-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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