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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
Names and Synonyms:
Trichloroethylene
F 1120
Ethene, 1,1,2-trichloro-
Ethylene, trichloro-
Ethene, trichloro-
1,1,2-Trichloroethene
Algylen
Chlorylen
Ethinyl trichloride
Ethylene trichloride
Germalgene
Threthylen
Threthylene
Trethylene
Trichloran
Trichloren
Trichloroethene
Trichloroethylene
1,1,2-Trichloroethylene
Trilene
Trimar
Westrosol
Triclene
Anamenth
Fluate
Densinfluat
Narcogen
Trilen
Chlorilen
Narkosoid
Trielin
Trieline
Trielene
TCE
Triklone N
R 1120
TCE (chlorohydrocarbon)
LPS HDX Heavy Duty Degreaser
Identifiers:
SMILES:
ClC=C(Cl)Cl
InChI:
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
Key Properties
Boiling Point
87.2 °C
CAS Common Chemistry
Melting Point
-84.7 °C
CAS Common Chemistry
Density
1.46 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.39 g/mol | CAS Common Chemistry |
| 131.389 g/mol | RDKit | |
| 129.914383072 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4642 g/cm3 @ Temp: 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 |
| Molar Refractivity | 25.642 | RDKit |
