trans-1-Chloropropene

C₃H₅ClCAS 16136-85-976.52 g/mol

Open in Covalent MOL file

Alkene Vinyl halide

Properties

Molecular formula: C₃H₅Cl
Molar mass: 76.52 g/mol
Exact mass: 76.0080 Da
Melting point: −99 °C
Boiling point: 37.4 °C
logP: 1.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

16136-85-9

SMILES

C/C=C/Cl

InChIKey

OWXJKYNZGFSVRC-NSCUHMNNSA-N

InChI

InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1-Propene, 1-chloro-, (1E)-
Propene, 1-chloro-, (E)-
1-Propene, 1-chloro-, (E)-
Propene, 1-chloro-, trans-
trans-1-Chloro-1-propene
(E)-1-Chloro-1-propene
trans-1-Propenyl chloride
(E)-1-Chloropropene

Work with trans-1-Chloropropene

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.

1-Chloro-1-propene590-21-6Stereo not defined

Similar compounds

1,2-Dichloroethene156-59-245 % similar trans-1,2-Dichloroethylene156-60-545 % similar 1,2-Dichloroethylene540-59-045 % similar But-2-ene107-01-736 % similar cis-2-Butene590-18-136 % similar trans-2-Butene624-64-636 % similar 1-Chloro-2-fluoroethylene460-16-231 % similar Trans,trans-2,4-Hexadiene5194-51-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Allyl chloride107-05-1 2-Chloropropylene557-98-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook