trans-1,3-Dichloropropene
Properties
- Molecular formula
- C3H4Cl2
- Molar mass
- 110.97 g/mol
- Exact mass
- 109.9690 Da
- Density
- 1.224 g/mL (at 20 °C)
- Melting point
- −50 °C
- Boiling point
- 112 °C
- Water solubility
- 2.8 g/L
- logP
- 1.98Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H226 Flammable liquid and vapor28.6% of notifiers
- H301 Toxic if swallowed14.3% of notifiers
- H302 Harmful if swallowed81% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H317 May cause an allergic skin reaction14.3% of notifiers
- H319 Causes serious eye irritation19% of notifiers
- H351 Suspected of causing cancer81% of notifiers
- H400 Very toxic to aquatic life14.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects14.3% of notifiers
Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P318, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
10061-02-6SMILES
Cl/C=C/CClInChIKey
UOORRWUZONOOLO-OWOJBTEDSA-NInChI
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1-Propene, 1,3-dichloro-, (1E)-
- Propene, 1,3-dichloro-, (E)-
- 1-Propene, 1,3-dichloro-, (E)-
- (1E)-1,3-Dichloro-1-propene
- trans-1,3-Dichloro-1-propene
- trans-1,3-Dichloropropylene
- (E)-1,3-Dichloropropene
- (E)-1,3-Dichloro-1-propene
- trans-3-Chloroallyl chloride
- trans-Telone
Work with trans-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