Allyl chloride
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
- Flash point
- -32 °C (closed cup)
- Water solubility
- 3.37 g/L (25 °C)
- logP
- 1.41Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H351 Suspected of causing cancerCarcinogenicity
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 602-029-00-X), via PubChem.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
107-05-1SMILES
C=CCClInChIKey
OSDWBNJEKMUWAV-UHFFFAOYSA-NInChI
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2Weigh 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.