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Molecule
Trichloroethylene
CAS: 79-01-6 · C2HCl3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-01-6
- Molecular Formula
- C2HCl3
- Molecular Mass
- 131.39 g/mol
Identifiers
CAS Registry Number
79-01-6
SMILES
ClC=C(Cl)Cl
InChI Key
XSTXAVWGXDQKEL-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
Names and Synonyms
- Trichloroethylene Common Name
- F 1120 Synonym
- Ethene, 1,1,2-trichloro- Synonym
- Ethylene, trichloro- Synonym
- Ethene, trichloro- Synonym
- 1,1,2-Trichloroethene Synonym
- Algylen Synonym
- Chlorylen Synonym
- Ethinyl trichloride Synonym
- Ethylene trichloride Synonym
- Germalgene Synonym
- Threthylen Synonym
- Threthylene Synonym
- Trethylene Synonym
- Trichloran Synonym
- Trichloren Synonym
- Trichloroethene Synonym
- Trichloroethylene Synonym
- 1,1,2-Trichloroethylene Synonym
- Trilene Synonym
- Trimar Synonym
- Westrosol Synonym
- Triclene Synonym
- Anamenth Synonym
- Fluate Synonym
- Densinfluat Synonym
- Narcogen Synonym
- Trilen Synonym
- Chlorilen Synonym
- Narkosoid Synonym
- Trielin Synonym
- Trieline Synonym
- Trielene Synonym
- TCE Synonym
- Triklone N Synonym
- R 1120 Synonym
- TCE (chlorohydrocarbon) Synonym
- LPS HDX Heavy Duty Degreaser Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.39 g/mol | CAS Common Chemistry |
| 131.389 g/mol | RDKit | |
| 131.38 g/mol | chempirical lib | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4642 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trichloroethylene | CAS Common Chemistry |
| Boiling Point | 87.2 °C | CAS Common Chemistry |
| Canonical SMILES | ClC=C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl3/c3-1-2(4)5/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=XSTXAVWGXDQKEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -84.7 °C | CAS Common Chemistry |
| Name | Trichloroethylene | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5017000000000005 | RDKit |
| 2.5017 | RDKit | |
| 2.37 | chempirical lib | |
| Molar Refractivity | 25.642 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 129.914383072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 131.39 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
