1,3-Dichloropropene
Properties
- Molecular formula
- C3H4Cl2
- Molar mass
- 110.97 g/mol
- Exact mass
- 109.9690 Da
- Density
- 1.22 g/mL (at 25 °C)
- Melting point
- below −50 °C
- Boiling point
- 108 °C
- Flash point
- 25 °C (closed cup)
- Water solubility
- 2 g/L (20 °C)
- logP
- 1.98Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vaporFlammable liquids
- H301 Toxic if swallowedAcute toxicity, oral
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H311 Toxic in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- 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
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-030-00-5[1]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P331, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
542-75-6SMILES
ClC=CCClInChIKey
UOORRWUZONOOLO-UHFFFAOYSA-NInChI
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
18 names · show all
- 1-Propene, 1,3-dichloro-
- Propene, 1,3-dichloro-
- 1,3-Dichloro-1-propene
- α,γ-Dichloropropylene
- 1,3-Dichloropropylene
- γ-Chloroallyl chloride
- Telone
- 1,3-D
- 1,3-Dichloro-2-propene
- 3-Chloropropenyl chloride
- 3-Chloroallyl chloride
- Telone II
- Telone II-B
- DD 95
- D-D 92
- Telone 92
- NSC 6202
- Dorlane II
Work with 1,3-Dichloropropene
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,4-Dichlorobut-2-ene110-57-657 % similar
cis-1,4-Dichloro-2-butene1476-11-557 % similar
1,4-Dichloro-2-butene764-41-057 % similar
(2E)-1-Chloro-2-butene4894-61-544 % similar
Crotyl chloride591-97-944 % similar
O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine87851-77-236 % similar
1,2-Dichloroethene156-59-236 % similar
trans-1,2-Dichloroethylene156-60-536 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds