chempirical

Allyl chloride

C3H5ClCAS 107-05-176.52 g/mol

Open in Covalent MOL file
Cl
AlkeneAlkyl halide

Properties

Molecular formula
C3H5Cl
Molar mass
76.52 g/mol
Exact mass
76.0080 Da
Density
0.938 g/mL (at 20 °C)
Melting point
−135 °C
Boiling point
44–45 °C
logP
1.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
107-05-1
SMILES
C=CCCl
InChIKey
OSDWBNJEKMUWAV-UHFFFAOYSA-N
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Propene, 3-chloro-
  • Propene, 3-chloro-
  • 3-Chloro-1-propene
  • 1-Chloro-2-propene
  • 3-Chloropropylene
  • 3-Chloropropene
  • 2-Propenyl chloride
  • NSC 20939
  • HCO 1260ZF

Work with Allyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-1-butene927-73-144 % similar 1,4-Dichlorobut-2-ene110-57-640 % similar cis-1,4-Dichloro-2-butene1476-11-540 % similar 1,4-Pentadiene591-93-540 % similar 1,5-Hexadiene592-42-740 % similar 1,4-Dichloro-2-butene764-41-040 % similar 6-Chloro-1-hexene928-89-238 % similar 1,6-Heptadiene3070-53-935 % similar

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

Same formula

trans-1-Chloropropene16136-85-9 2-Chloropropylene557-98-2 1-Chloro-1-propene590-21-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia