1,4-Dichlorobut-2-ene

C₄H₆Cl₂CAS 110-57-6124.99 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₄H₆Cl₂
Molar mass: 124.99 g/mol
Exact mass: 123.9847 Da
Density: 1.183 g/mL (at 25 °C)
Melting point: 2 °C
Boiling point: 155.4 °C
logP: 2.02Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

110-57-6

SMILES

ClC/C=C/CCl

InChIKey

FQDIANVAWVHZIR-OWOJBTEDSA-N

InChI

InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+

Weigh it out

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

Names and synonyms

10 names

2-Butene, 1,4-dichloro-, (2E)-
2-Butene, 1,4-dichloro-, (E)-
2-Butene, 1,4-dichloro-, trans-
(2E)-1,4-Dichloro-2-butene
(E)-1,4-Dichloro-2-butene
trans-1,4-Dichloro-2-butene
1,4-Dichloro-trans-2-butene
trans-1,4-Dichlorobuten-2-ene
1,4-Dichloro-2-trans-butene
(2E)-1,4-Dichlorobut-2-ene

Work with 1,4-Dichlorobut-2-ene

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

cis-1,3-Dichloropropene10061-01-557 % similar trans-1,3-Dichloropropene10061-02-657 % similar (2E)-1-Chloro-2-butene4894-61-557 % similar 1,3-Dichloropropene542-75-657 % similar Crotyl chloride591-97-957 % similar Allyl chloride107-05-140 % similar Chloroacetaldehyde107-20-040 % similar Cinnamyl chloride2687-12-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

cis-1,4-Dichloro-2-butene1476-11-5 1,1-Bis(chloromethyl)ethylene1871-57-4 1,4-Dichloro-2-butene764-41-0 1,3-Dichloro-2-butene926-57-8

Elsewhere

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