chempirical

trans-1-Chloropropene

C3H5ClCAS 16136-85-976.52 g/mol

Open in Covalent MOL file
Cl
AlkeneVinyl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Double bonds
EE/Z, in SMILES order

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

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 1-Chloro-1-propene590-21-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook