cis-1,4-Dichloro-2-butene

C₄H₆Cl₂CAS 1476-11-5124.99 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: 1.188 g/mL (at 25 °C)
Melting point: −48 °C
Boiling point: 152.5 °C
logP: 2.02Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor98% of notifiers
H301 Toxic if swallowed94.1% of notifiers
H311 Toxic in contact with skin94.1% of notifiers
H314 Causes severe skin burns and eye damage94.1% of notifiers
H330 Fatal if inhaled94.1% of notifiers
H350 May cause cancer94.1% of notifiers
H400 Very toxic to aquatic life94.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects17.6% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1476-11-5

SMILES

ClC/C=CCCl

InChIKey

FQDIANVAWVHZIR-UPHRSURJSA-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

8 names

2-Butene, 1,4-dichloro-, (2Z)-
2-Butene, 1,4-dichloro-, (Z)-
(2Z)-1,4-Dichloro-2-butene
1,4-Dichloro-cis-2-butene
(Z)-1,4-Dichloro-2-butene
cis-1,2-Bis(chloromethyl)ethene
(Z)-1,4-Dichlorobutene
(2Z)-1,4-Dichlorobut-2-ene

Work with cis-1,4-Dichloro-2-butene

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.

1,4-Dichlorobut-2-ene110-57-6Defined stereoisomer 1,4-Dichloro-2-butene764-41-0

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 chloride21087-29-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Bis(chloromethyl)ethylene1871-57-4 1,3-Dichloro-2-butene926-57-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook