1,3-Dichloropropane

C₃H₆Cl₂CAS 142-28-9112.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆Cl₂
Molar mass: 112.98 g/mol
Exact mass: 111.9847 Da
Density: 1.1876 g/mL (at 20 °C)
Melting point: −99.5 °C
Boiling point: 120.4 °C
logP: 1.85Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

142-28-9

SMILES

ClCCCCl

InChIKey

YHRUOJUYPBUZOS-UHFFFAOYSA-N

InChI

InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2

Weigh it out

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

Names and synonyms

4 names

Propane, 1,3-dichloro-
Trimethylene dichloride
R 270Fa
NSC 6204

Work with 1,3-Dichloropropane

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

1,4-Dichlorobutane110-56-578 % similar 1,10-Dichlorodecane2162-98-370 % similar 1,8-Dichlorooctane2162-99-470 % similar 1,6-Dichlorohexane2163-00-070 % similar 1,5-Dichloropentane628-76-270 % similar 1,2-Dichloroethane107-06-256 % similar 1-Chlorobutane109-69-350 % similar 1-Bromo-3-chloropropane109-70-650 % similar

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

Same formula

2,2-Dichloropropane594-20-7 1,2-Dichloropropane78-87-5

Elsewhere

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