Allyl iodide

C3H5ICAS 556-56-9167.98 g/mol

Open in Covalent MOL file
I
AlkeneAlkyl halide

Properties

Molecular formula
C3H5I
Molar mass
167.98 g/mol
Exact mass
167.9436 Da
Melting point
−99.3 °C
Boiling point
103 °C
logP
1.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 602-054-00-6), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
556-56-9
SMILES
C=CCI
InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N
InChI
InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2

Weigh it out

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

Names and synonyms

8 names
  • 1-Propene, 3-iodo-
  • Propene, 3-iodo-
  • 3-Iodo-1-propene
  • 3-Iodopropylene
  • 3-Iodopropene
  • 2-Propenyl iodide
  • NSC 18588
  • 1-Iodo-2-propene

Work with Allyl 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

1,4-Pentadiene591-93-540 % similar 1,5-Hexadiene592-42-740 % similar 1,6-Heptadiene3070-53-935 % similar 1,7-Octadiene3710-30-335 % similar Triallylamine102-70-533 % similar Allyl bromide106-95-633 % similar 1-Butene106-98-933 % similar Allyl chloride107-05-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia