chempirical

2-Phenylethyl bromide

C8H9BrCAS 103-63-9185.06 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
1.36 g/mL
Melting point
−67.5 °C
Boiling point
219 °C
logP
2.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
103-63-9
SMILES
BrCCc1ccccc1
InChIKey
WMPPDTMATNBGJN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzene, (2-bromoethyl)-
  • (2-Bromoethyl)benzene
  • Phenethyl bromide
  • 1-Bromo-2-phenylethane
  • 2-Phenethyl bromide
  • β-Bromoethylbenzene
  • β-Phenethyl bromide
  • β-Phenylethyl bromide
  • Phenylethyl bromide
  • 2-Phenyl-1-bromoethane
  • 1-Phenyl-2-bromoethane
  • 2-Bromo-1-phenylethane
  • 2-Phenylbromoethane
  • NSC 33926

Work with 2-Phenylethyl 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-Bromo-3-phenylpropane637-59-274 % similar 1-Bromo-4-phenylbutane13633-25-570 % similar 1-Bromo-5-phenylpentane14469-83-167 % similar 1-Bromo-6-phenylhexane27976-27-867 % similar 1-Bromo-8-phenyloctane54646-75-267 % similar 1-Bromo-7-phenylheptane78573-85-067 % similar 1-Bromo-10-phenyldecane85562-26-167 % similar Bibenzyl103-29-759 % similar

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

Same formula

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 1-Bromo-2,3-dimethylbenzene576-23-8

Elsewhere

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