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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 Weight:
131.389 g/mol
Names and Synonyms:
Trichloroethylene
F 1120
LPS HDX Heavy Duty Degreaser
TCE (chlorohydrocarbon)
R 1120
Triklone N
TCE
Trielene
Trieline
Trielin
Narkosoid
Chlorilen
Trilen
Narcogen
Densinfluat
Fluate
Anamenth
Triclene
Westrosol
Trimar
Trilene
1,1,2-Trichloroethylene
Trichloroethylene
Trichloroethene
Trichloren
Trichloran
Trethylene
Threthylene
Threthylen
Germalgene
Ethylene trichloride
Ethinyl trichloride
Chlorylen
Algylen
1,1,2-Trichloroethene
Ethene, trichloro-
Ethylene, trichloro-
Ethene, 1,1,2-trichloro-
Identifiers:
SMILES:
ClC=C(Cl)Cl
InChI:
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.389 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.914383072 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.5017000000000005 | RDKit |
| molecular_mass | 131.39 g/mol | Legacy Database |
| density | 1.46 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trichloroethylene None | Legacy Database |
| cas-boiling-point | 87.2 °C None | Legacy Database |
| cas-canonical-smile | ClC=C(Cl)Cl None | Legacy Database |
| cas-density | 1.4642 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2HCl3/c3-1-2(4)5/h1H None | Legacy Database |
| cas-inchi-key | InChIKey=XSTXAVWGXDQKEL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -84.7 °C None | Legacy Database |
| cas-name | Trichloroethylene None | Legacy Database |
| wikipedia-name | Trichloroethylene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.642 | RDKit |
