3-Methylbenzyl bromide

C8H9BrCAS 620-13-3185.06 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
1.3711 g/mL (at 23 °C)
Boiling point
212.5 °C
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)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
620-13-3
SMILES
Cc1cccc(CBr)c1
InChIKey
FWLWTILKTABGKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)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

8 names
  • Benzene, 1-(bromomethyl)-3-methyl-
  • m-Xylene, α-bromo-
  • 1-(Bromomethyl)-3-methylbenzene
  • m-Xylyl bromide
  • m-Methylbenzyl bromide
  • α-Bromo-m-xylene
  • 3-(Bromomethyl)toluene
  • NSC 60146

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Bis(bromomethyl)benzene626-15-365 % similar 3,5-Bis(bromomethyl)toluene19294-04-360 % similar 3,5-Dimethylbenzyl bromide27129-86-860 % similar 1-Ethyl-3-methylbenzene620-14-459 % similar 3-Methylbenzylamine100-81-257 % similar 3-(Bromomethyl)biphenyl14704-31-557 % similar 3-Methylbenzyl alcohol587-03-157 % similar 3-Methylbenzyl chloride620-19-957 % 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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