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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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

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 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 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-036 % similar 2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane76347-13-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook