Allyl chloride

CAS 107-05-1  ·  C3H5Cl  ·  MW 76.52 g/mol

Full record: Allyl chloride — Safety Data Sheet →

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3D model Allyl chloride, CAS 107-05-1, molecular formula C3H5Cl, molar mass 76.52 g/mol

Model views

  • Allyl chloride (CAS 107-05-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Allyl chloride (CAS 107-05-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Allyl chloride (CAS 107-05-1) – 2D structure, MolGod Viewer
    2D structure

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Allyl chloride, C3H5Cl, CAS 107-05-1 - 3D molecular model
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About Allyl chloride

Allyl chloride is a chemical compound registered under number CAS 107-05-1, with the molecular formula C3H5Cl, and a molar mass of 76.52 g/mol.

The molecule contains 9 atoms connected by 8 chemical bonds. The full systematic IUPAC name of this compound is 3-chloroprop-1-ene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.5 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC3H5Cl
Molar mass76.52 g/mol
IUPAC3-chloroprop-1-ene
SMILESC=CCCl
InChIKeyOSDWBNJEKMUWAV-UHFFFAOYSA-N
logP (XLogP3)1.5
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 7850 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H225 — Highly flammable liquid and vapour

H351 — Suspected of causing cancer

H341 — Suspected of causing genetic defects

H332 — Harmful if inhaled

H312 — Harmful in contact with skin

H302 — Harmful if swallowed

H335 — May cause respiratory irritation

H373 — May cause damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H400 — Very toxic to aquatic life

Scientific literature

Related literature

9 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 9)

1946: number of articles 119461985: number of articles 11986: number of articles 11999: number of articles 12006: number of articles 220062007: number of articles 12017: number of articles 12023: number of articles 12023

Bar height = number of articles in a given year. Hover over a bar to see details.

(1985) · IARC monographs on the evaluation of the carcinogenic risk of chemicals to humans
$ PaywallPubMed ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
ALLYL CHLORIDE · 107-05-1 · 3-Chloro-1-propene · 3-Chloropropene · 1-Propene, 3-chloro- · 3-Chloropropylene · Chlorallylene · 2-Propenyl chloride · 1-Chloro-2-propene · Allylchlorid · Chloroallylene · 3-Chloropropene-1 · 3-Chlorpropen · Propene, 3-chloro- · 3-Chloro-1-propylene
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Allyl chloride · 107-05-1
InChIKey
OSDWBNJEKMUWAV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Allyl chloride (CAS 107-05-1)
License & provenance record
Allyl chloride (CAS 107-05-1) →
MolGod molecule record
Allyl chloride →
Source data
PubChem CID 7850 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0ee77524f344cae98ebc9e4f73f975a8bdaeedd7d318ee2914166961eac13355
MD5 (STL)
6c99645c75da3f5b24f456695382ae6f
MolGod Identification Number
MG_406-023-385-71
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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