chempirical

(3-Bromo-1-propen-1-yl)benzene

C9H9BrCAS 4392-24-9197.08 g/mol

Open in Covalent MOL file
Br
AlkeneAlkyl halide

Properties

Molecular formula
C9H9Br
Molar mass
197.08 g/mol
Exact mass
195.9888 Da
Density
1.366 g/mL (at 0 °C)
Melting point
34 °C
Boiling point
105–106 °C (at 2 Torr)
logP
3.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4392-24-9
SMILES
BrCC=Cc1ccccc1
InChIKey
RUROFEVDCUGKHD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2

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Names and synonyms

13 names · show all
  • Benzene, (3-bromo-1-propen-1-yl)-
  • Benzene, (3-bromopropenyl)-
  • Benzene, (3-bromo-1-propenyl)-
  • Cinnamyl bromide
  • 3-Bromo-1-phenylpropene
  • 3-Phenylallyl bromide
  • 3-Phenyl-2-propenyl bromide
  • (3-Bromo-1-propenyl)benzene
  • 1-Phenyl-3-bromo-1-propene
  • 1-Bromo-3-phenyl-2-propene
  • 3-Bromo-1-phenylprop-1-ene
  • NSC 78446
  • (3-Bromoprop-1-en-1-yl)benzene

Reactions

Work with (3-Bromo-1-propen-1-yl)benzene

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

Cinnamyl alcohol104-54-154 % similar Cinnamyl chloride21087-29-654 % similar Cinnamyl chloride2687-12-954 % similar (E)-Stilbene103-30-052 % similar (Z)-Stilbene645-49-852 % similar Beta-Bromostyrene103-64-048 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-748 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-848 % similar

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

Same formula

1-Bromo-4-cyclopropylbenzene1124-14-7

Elsewhere

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