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

Hazards

Danger

H301 Toxic if swallowed11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 1-Phenyl-3-chloro-1-propyne3355-31-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

cis-3,4-Dichlorocyclobutene41326-64-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook