1,1,1,3-Tetrachloropropane

C₃H₄Cl₄CAS 1070-78-6181.87 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₄Cl₄
Molar mass: 181.87 g/mol
Exact mass: 179.9067 Da
Density: 1.4463 g/mL (at 25 °C)
Boiling point: 157 °C
logP: 2.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

1070-78-6

SMILES

ClCCC(Cl)(Cl)Cl

InChIKey

UTACNSITJSJFHA-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2

Weigh it out

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

Names and synonyms

4 names

Propane, 1,1,1,3-tetrachloro-
HCC 250fb
HCC 250
1,3,3,3-Tetrachloropropane

Work with 1,1,1,3-Tetrachloropropane

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-3,3-dimethylbutane2855-08-542 % similar Chlorotrifluoropropane460-35-542 % similar 1,1,1,2-Tetrachloroethane630-20-641 % similar 1,2-Dichloroethane107-06-236 % similar 1,4-Dichlorobutane110-56-531 % similar 1,3-Dichloropropane142-28-931 % similar

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

Same formula

1,2,2,3-Tetrachloropropane13116-53-5

Elsewhere

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