1,1,2-Trichloroethane

C2H3Cl3CAS 79-00-5133.40 g/mol

Open in Covalent MOL file
ClClCl
Alkyl halide

Properties

Molecular formula
C2H3Cl3
Molar mass
133.40 g/mol
Exact mass
131.9300 Da
Density
1.4416 g/mL (at 20 °C)
Melting point
−36.6 °C
Boiling point
113.8 °C
Water solubility
4.59 g/L (25 °C)
logP
2.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 602-014-00-8), 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
79-00-5
SMILES
ClCC(Cl)Cl
InChIKey
UBOXGVDOUJQMTN-UHFFFAOYSA-N
InChI
InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2

Weigh it out

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

Names and synonyms

7 names
  • Ethane, 1,1,2-trichloro-
  • β-Trichloroethane
  • Vinyltrichloride
  • 1,2,2-Trichloroethane
  • β-T
  • Trichloroethane
  • NSC 405074

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 79-00-5. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 1,1,2-Trichloroethane

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

1,2,3-Trichloropropane96-18-447 % similar 1,2-Dichloropropane78-87-539 % similar (Chloromethyl)cyclopropane5911-08-038 % similar Isobutyl chloride513-36-035 % similar Dichloroethanol598-38-935 % similar 1,3-Dichloropropan-2-ol96-23-135 % similar 1,2-Dichlorobutane616-21-735 % similar (+-)-2,3-Dichloro-1-propanol616-23-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1,1-Trichloroethane71-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia