chempirical

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
logP
2.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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

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 1,2-Dichlorobutane616-21-735 % similar (±)-2,3-Dichloro-1-propanol616-23-935 % similar 2,3-Dichloropropanal10140-89-333 % similar 2,3-Dichloropropanenitrile2601-89-033 % similar

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

Same formula

1,1,1-Trichloroethane71-55-6

Elsewhere

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