3,5-Bis(bromomethyl)toluene

C₉H₁₀Br₂CAS 19294-04-3277.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀Br₂
Molar mass: 277.99 g/mol
Exact mass: 275.9149 Da
logP: 3.78Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage11.6% of notifiers
H319 Causes serious eye irritation88.4% of notifiers

Aggregated from 43 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+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

19294-04-3

SMILES

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

InChIKey

AKDWRXXKHRUFMS-UHFFFAOYSA-N

InChI

InChI=1S/C9H10Br2/c1-7-2-8(5-10)4-9(3-7)6-11/h2-4H,5-6H2,1H3

Weigh it out

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

Work with 3,5-Bis(bromomethyl)toluene

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-Dimethylbenzyl bromide27129-86-889 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-167 % similar 3-Methylbenzyl bromide620-13-360 % similar 4-Methylbenzyl bromide104-81-457 % similar 1,3-Bis(bromomethyl)benzene626-15-348 % similar (3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-246 % similar 3,5-Dibromobenzyl bromide56908-88-446 % similar 3,5-Di-tert-butylbenzyl bromide62938-08-344 % similar

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

Same formula

1,3-Dibromo-5-(propan-2-yl)benzene62655-20-3 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-0

Elsewhere

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