chempirical

Hexachlorobutadiene

C4Cl6CAS 87-68-3260.74 g/mol

Open in Covalent MOL file
ClClClClClCl
AlkeneVinyl halide

Properties

Molecular formula
C4Cl6
Molar mass
260.74 g/mol
Exact mass
257.8131 Da
Density
1.556 g/mL (at 25 °C)
Melting point
−21 °C
Boiling point
215 °C
logP
4.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
87-68-3
SMILES
ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl
InChIKey
RWNKSTSCBHKHTB-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Butadiene, 1,1,2,3,4,4-hexachloro-
  • Butadiene, hexachloro-
  • 1,1,2,3,4,4-Hexachloro-1,3-butadiene
  • Hexachloro-1,3-butadiene
  • C 46
  • Perchlorobutadiene
  • Perchloro-1,3-butadiene
  • HCB
  • NSC 3701

Work with Hexachlorobutadiene

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

Tetrachloroethylene127-18-450 % similar Chloranil118-75-233 % similar O-Chloranil2435-53-231 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia