1,4-Dichloro-2-butyne

C₄H₄Cl₂CAS 821-10-3122.98 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₄H₄Cl₂
Molar mass: 122.98 g/mol
Exact mass: 121.9690 Da
Density: 1.258 g/mL (at 20 °C)
Melting point: 162–165 °C
Boiling point: 165.5 °C
logP: 1.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

821-10-3

SMILES

ClCC#CCCl

InChIKey

RCHDLEVSZBOHOS-UHFFFAOYSA-N

InChI

InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2

Weigh it out

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

Names and synonyms

4 names

2-Butyne, 1,4-dichloro-
1,4-Dichlorobutyne
Bis(chloromethyl)acetylene
NSC 30603

Work with 1,4-Dichloro-2-butyne

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-Chloro-2-pentyne22592-15-060 % similar Chloroacetonitrile107-14-240 % similar Propargyl chloride624-65-740 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook