Allyl chloride
An organohalide, C3H5Cl, 76.526 g/mol. Boiling point 44-45 °C, melting point -134.5 °C, as published.
Identifiers
- Molecular formula
- C₃H₅Cl
- Molecular weight
- 76.526 g/mol
- Exact mass
- 76.007978 g/mol
- IUPAC name
- 3-chloroprop-1-ene
- C=CCCl
- InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
- OSDWBNJEKMUWAV-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 113 °F at 760 mmHg (NTP, 1992)
- 44-45 °C
- Melting Point
- -210.1 °F (NTP, 1992)
- -134.5 °C
- Density
- 0.94 at 68 °F (USCG, 1999) - Less dense than water; will float
- 0.938 at 20 °C/4 °C
- Solubility
- 1 to 10 mg/mL at 66 °F (NTP, 1992)
- Miscible with alcohol, chloroform, ether, petrol ether
- Vapor Pressure
- 340 mmHg at 68 °F ; 440 mmHg at 86 °F (NTP, 1992)
- 368.0 [mmHg]
- LogP
- 2.1
- 3.0
- Flash Point
- -25 °F (NTP, 1992)
- Flash point equals -25 ° F
- Refractive Index
- Index of refraction: 1.4157 at 20 °C/D
Calculated properties
- Molecular weight
- 76.52 g/mol
- Exact mass
- 76.0079779 Da
- XLogP3
- 1.5
- Polar surface area
- 0 Ų
- Complexity
- 17
- H-bond donors
- 0
- H-bond acceptors
- 0
- logP
- 1.4112
- Topological polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Rotatable bonds
- 1
- Molar refractivity
- 20.917 cm³/mol
- Fraction sp³ carbons
- 0.3333
- QED drug-likeness
- 0.3273
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 4
- Total atoms, hydrogen included
- 9
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Halide (C–X)
Alkene
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is 3-chloroprop-1-ene.
The sources also call it 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.
Structurally related
Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Allyl chloride. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,3-Diallyl-5,5-dimethylhydantoin
formed as a product
C₁₁H₁₆N₂O₂, 208.261 g/mol.
1,3-Propanediol, 2-methyl-2-(1-methylpropyl)-
used as a reactant
C₈H₁₈O₂, 146.23 g/mol.
(3-Chloropropyl)(triethyl)silane
formed as a product
C₉H₂₁ClSi, 192.806 g/mol.
(3RS)-2-[(Allylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
formed as a product
C₁₆H₁₆N₂O₂S₂, 332.45 g/mol.
1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid
used as a reactant
C₁₂H₁₂N₂O₂, 216.24 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under A
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C3H5Cl in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Allyl chloride for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.