1,1,2,2,3-Pentachloropropane

C₃H₃Cl₅CAS 16714-68-4216.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₃Cl₅
Molar mass: 216.31 g/mol
Exact mass: 213.8677 Da
Density: 1.6326 g/mL (at 25 °C)
Boiling point: 191–191.5 °C (at 755 Torr)
logP: 3.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

16714-68-4

SMILES

ClCC(Cl)(Cl)C(Cl)Cl

InChIKey

IYFMQUDCYNWFTL-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2

Weigh it out

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

Names and synonyms

2 names

Propane, 1,1,2,2,3-pentachloro-
HCC 240aa

Work with 1,1,2,2,3-Pentachloropropane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,2,3-Tetrachloropropane13116-53-535 % similar 1,1,1,2-Tetrachloroethane630-20-635 % similar Pentachloroethane76-01-735 % similar 1,2-Dichloro-2-fluoropropane420-97-332 % similar 1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-732 % similar 1,2-Dichloro-1,1-difluoroethane1649-08-730 % similar 1,2,2-Trichloro-1,1-difluoroethane354-21-230 % similar 1,2-Dichloro-2-methylpropane594-37-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook