chempirical

Phenethyl iodide

C8H9ICAS 17376-04-4232.06 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C8H9I
Molar mass
232.06 g/mol
Exact mass
231.9749 Da
Density
1.632 g/mL (at 20 °C)
Boiling point
221–222 °C
logP
2.66Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
17376-04-4
SMILES
ICCc1ccccc1
InChIKey
KVTHPKXDLVYNCH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/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

8 names
  • Benzene, (2-iodoethyl)-
  • (2-Iodoethyl)benzene
  • β-Phenethyl iodide
  • 2-Phenylethyl iodide
  • β-Phenylethyl iodide
  • 1-Iodo-2-phenylethane
  • 4-(2-Iodoethyl)benzene
  • 2-Phenyl-1-iodoethane

Work with Phenethyl iodide

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

Bibenzyl103-29-759 % similar 1,3-Diphenylpropane1081-75-056 % similar Diphenylmethane101-81-547 % similar 2-Phenylethyl bromide103-63-945 % similar n-Propylbenzene103-65-145 % similar Benzeneethanethiol4410-99-545 % similar Phenethyl alcohol60-12-845 % similar Phenylethyl chloride622-24-245 % similar

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

Same formula

2-Iodo-1,4-dimethylbenzene1122-42-5 1-Ethyl-2-iodobenzene18282-40-1 1-Ethyl-4-iodobenzene25309-64-2 1-Iodo-2,3-dimethylbenzene31599-60-7 1-Iodo-3,4-dimethylbenzene31599-61-8 1-Iodo-2,4-dimethylbenzene4214-28-2 2-Iodo-1,3-dimethylbenzene608-28-6

Elsewhere

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