chempirical

Cinnamyl chloride

C9H9ClCAS 2687-12-9152.62 g/mol

Open in Covalent MOL file
Cl
AlkeneAlkyl halide

Properties

Molecular formula
C9H9Cl
Molar mass
152.62 g/mol
Exact mass
152.0393 Da
Melting point
35 °C
Boiling point
121–122 °C (at 14 Torr)
logP
2.94Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
2687-12-9
SMILES
ClCC=Cc1ccccc1
InChIKey
IWTYTFSSTWXZFU-UHFFFAOYSA-N
InChI
InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzene, (3-chloro-1-propen-1-yl)-
  • Benzene, (3-chloropropenyl)-
  • Benzene, (3-chloro-1-propenyl)-
  • Benzene, (γ-chloropropenyl)-
  • (3-Chloro-1-propen-1-yl)benzene
  • 1-Propene, 3-chloro-1-phenyl-
  • 1-Chloro-3-phenyl-2-propene
  • 3-Chloro-1-phenylpropene
  • 3-Phenyl-2-propenyl chloride
  • β-Chloromethylstyrene
  • 3-Phenyl-2-propen-1-yl chloride
  • (3-Chloro-1-propenyl)benzene
  • 3-Chloro-1-phenyl-1-propene
  • 3-Phenylallyl chloride
  • NSC 5599
  • 3-Chloroprop-1-en-1-ylbenzene

Work with Cinnamyl chloride

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 (3-Bromo-1-propen-1-yl)benzene4392-24-954 % similar (E)-Stilbene103-30-052 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-748 % similar Cinnamyl formate104-65-445 % similar Cinnamaldehyde104-55-244 % similar Cinnamonitrile4360-47-844 % similar trans-4-Hydroxystilbene6554-98-944 % similar

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

Same formula

4-Vinylbenzyl chloride1592-20-7 1-Chloro-4-(1-methylethenyl)benzene1712-70-5

Elsewhere

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