3,5-Dimethylbenzyl bromide

C₉H₁₁BrCAS 27129-86-8199.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁Br
Molar mass: 199.09 g/mol
Exact mass: 198.0044 Da
logP: 3.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

27129-86-8

SMILES

CC1=CC(=CC(=C1)CBr)C

InChIKey

QXDHXCVJGBTQMK-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Br/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3

Weigh it out

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

Work with 3,5-Dimethylbenzyl bromide

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

3,5-Bis(bromomethyl)toluene19294-04-389 % similar 3-Methylbenzyl bromide620-13-360 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-158 % similar 4-Methylbenzyl bromide104-81-457 % similar Mesitylene108-67-850 % similar 3,5-Dimethylbenzyl alcohol27129-87-950 % similar 3,5-Dimethylbenzyl chloride2745-54-250 % similar 3,5-Dimethylbenzenemethanamine78710-55-150 % similar

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

Same formula

1-Bromo-2-phenylpropane1459-00-3 2-Bromo-1-phenylpropane2114-39-8 3-Bromocumene5433-01-2 1-Bromo-2,4,5-trimethylbenzene5469-19-2 Mesityl bromide576-83-0 1-Bromo-4-isopropylbenzene586-61-8 1-Bromo-4-propylbenzene588-93-2 1-Bromo-3-phenylpropane637-59-2

Elsewhere

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