1,2,3-Trichloropropane

C3H5Cl3CAS 96-18-4147.42 g/mol

Open in Covalent MOL file
ClClCl
Alkyl halide

Properties

Molecular formula
C3H5Cl3
Molar mass
147.42 g/mol
Exact mass
145.9457 Da
Density
1.3889 g/mL (at 20 °C)
Melting point
−14.7 °C
Boiling point
156.85 °C
Water solubility
1.75 g/L (25 °C)
logP
2.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 602-062-00-X), via PubChem.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number
96-18-4
SMILES
ClCC(Cl)CCl
InChIKey
CFXQEHVMCRXUSD-UHFFFAOYSA-N
InChI
InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

Weigh it out

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

Names and synonyms

7 names
  • Propane, 1,2,3-trichloro-
  • Allyl trichloride
  • Glycerol trichlorohydrin
  • Glyceryl trichlorohydrin
  • Trichlorohydrin
  • NSC 35403
  • HCC 260DA

Work with 1,2,3-Trichloropropane

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-Dichlorobutane616-21-759 % similar (+-)-2,3-Dichloro-1-propanol616-23-959 % similar 1,2-Dichloropentane1674-33-553 % similar 1,1,2-Trichloroethane79-00-547 % similar 2-(Chloromethyl)-1,3-dioxolane2568-30-139 % similar 1,2-Dichloropropane78-87-539 % similar Chlorocyclobutane1120-57-638 % similar (Chloromethyl)cyclopropane5911-08-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia