ChemArche
Sign inAccount

Molecule record

ALLYL CHLORIDE

C3H5Cl

76.52 g/mol

2D structure for ALLYL CHLORIDE

Molecular properties

Formula
C3H5Cl
Molar mass
76.52 g·mol−1
Exact mass
76.0080 Da
1
0
0
0.00 Ų
1.5 (PubChem computed XLogP3-AA descriptor)
CAS
107-05-1
PubChem CID
7850

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Alkyl halide

Physical properties

PropertyValueConditionsSource
Logp1.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Chloro-2-propene
  • 1-Propene, 3-chloro-
  • 107-05-1
  • 2-Propenyl chloride
  • 3-Chloro-1-propene
  • 3-Chloro-1-propylene
  • 3-Chloropropene
  • 3-Chloropropene-1
Show all 22 synonyms
  • 3-Chloropropylene
  • 3-Chlorpropen
  • Allile (cloruro di)
  • Allylchlorid
  • Allyle (chlorure d')
  • Chlorallylene
  • Chloro-2-propene
  • Chloroallylene
  • DTXSID4039231
  • NCI-C04615
  • Propene, 3-chloro-
  • V2RFT0R50S
  • alpha-Chloropropylene
  • p-Aminopropiofenon

Structure identifiers

Canonical SMILES
C=CCCl
Isomeric SMILES
C=CCCl
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
InChIKey
OSDWBNJEKMUWAV-UHFFFAOYSA-N
PubChem CID
7850

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for ALLYL CHLORIDE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ALLYL CHLORIDE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record