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)
Flash point
82 °C (closed cup)
Water solubility
insoluble
logP
2.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P363, P403+P233, P405, P501

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

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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 2-Fluoro-3-methylbenzyl bromide151412-12-361 % similar 1-Ethyl-2-methylbenzene611-14-356 % similar 2-Iodobenzyl bromide40400-13-354 % similar 2-Methylbenzyl chloride552-45-454 % similar 2-Methylbenzylamine89-93-054 % similar 2-Methylbenzyl alcohol89-95-254 % similar 2-Bromobenzyl bromide3433-80-552 % 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 5-Bromo-M-xylene556-96-7 2-Bromo-1,3-dimethylbenzene576-22-7

Elsewhere

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