chempirical

2-Methylbenzyl bromide

C8H9BrCAS 89-92-9185.06 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C8H9Br
Molar mass
185.06 g/mol
Exact mass
183.9888 Da
Density
1.381 g/mL (at 23 °C)
Melting point
21 °C
Boiling point
216–217 °C (at 742 Torr)
logP
2.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
89-92-9
SMILES
Cc1ccccc1CBr
InChIKey
WGVYCXYGPNNUQA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1-(bromomethyl)-2-methyl-
  • o-Xylene, α-bromo-
  • 1-(Bromomethyl)-2-methylbenzene
  • α-Bromo-o-xylene
  • 2-Xylyl bromide
  • 2-(Bromomethyl)toluene
  • o-Methylbenzyl bromide
  • o-Xylyl bromide
  • NSC 60145
  • o-(Bromomethyl)toluene

Work with 2-Methylbenzyl 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

Xylylene dibromide91-13-462 % similar 1-Ethyl-2-methylbenzene611-14-356 % similar 2-Methylbenzyl chloride552-45-454 % similar 2-Methylbenzylamine89-93-054 % similar 2-Methylbenzyl alcohol89-95-254 % similar 2-Bromobenzyl bromide3433-80-552 % similar 2-(2-Methylphenyl)ethanol19819-98-850 % similar 2-Methylphenylacetonitrile22364-68-750 % similar

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

Same formula

2-Phenylethyl bromide103-63-9 4-Methylbenzyl bromide104-81-4 1-Bromo-4-ethylbenzene1585-07-5 1-Bromo-2-ethylbenzene1973-22-4 1-Bromo-3-ethylbenzene2725-82-8 Bromo-P-xylene553-94-6 2-Bromo-1,3-dimethylbenzene576-22-7 1-Bromo-2,3-dimethylbenzene576-23-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook