chempirical

Pentachloroethane

C2HCl5CAS 76-01-7202.28 g/mol

Open in Covalent MOL file
ClClClClCl
Alkyl halide

Properties

Molecular formula
C2HCl5
Molar mass
202.28 g/mol
Exact mass
199.8521 Da
Density
1.6796 g/mL (at 20 °C)
Melting point
−29 °C
Boiling point
159.8 °C
logP
3.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
76-01-7
SMILES
ClC(Cl)C(Cl)(Cl)Cl
InChIKey
BNIXVQGCZULYKV-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H

Weigh it out

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

Names and synonyms

4 names
  • Ethane, 1,1,1,2,2-pentachloro-
  • Ethane, pentachloro-
  • 1,1,1,2,2-Pentachloroethane
  • Pentalin

Work with Pentachloroethane

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

1,2,2-Trichloro-1,1-difluoroethane354-21-239 % similar Chloral hydrate302-17-035 % similar 2,2-Dichloro-1,1,1-trifluoroethane306-83-235 % similar 1,1,2,2,3-Pentachloropropane16714-68-435 % similar Octachlorodipropyl ether127-90-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia