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Tetrachloroethylene
CAS: 127-18-4 | C2Cl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 127-18-4
- Molecular Formula
- C2Cl4
- Molecular Mass
- 165.83 g/mol
Identifiers
CAS Registry Number
127-18-4
SMILES
ClC(Cl)=C(Cl)Cl
InChI Key
CYTYCFOTNPOANT-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl4/c3-1(4)2(5)6
Names and Synonyms
- Tetrachloroethylene Synonym
- Ethene, 1,1,2,2-tetrachloro- Synonym
- Ethylene, tetrachloro- Synonym
- Ethene, tetrachloro- Synonym
- 1,1,2,2-Tetrachloroethene Synonym
- Ankilostin Synonym
- Didakene Synonym
- Ethylene tetrachloride Synonym
- Nema Synonym
- Perchloroethylene Synonym
- PerSec Synonym
- Tetracap Synonym
- Tetrachloroethylene Synonym
- 1,1,2,2-Tetrachloroethylene Synonym
- Tetrachlorethylene Synonym
- Perchlorethylene Synonym
- Tetrachloroethene Synonym
- Antisal 1 Synonym
- Tetraguer Synonym
- Fedal-Un Synonym
- Tetraleno Synonym
- Tetropil Synonym
- Perclene Synonym
- Tetlen Synonym
- Dilatin PT Synonym
- Freon 1110 Synonym
- Perchloroethene Synonym
- F 1110 (halocarbon) Synonym
- F 1110 Synonym
- PCE Synonym
- R 1110 Synonym
- Perklone Synonym
- PCE (chlorohydrocarbon) Synonym
- NSC 9777 Synonym
- Asahi Perchlor Synonym
- Persa P 3 Synonym
- LXGL 15 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.83 g/mol | CAS Common Chemistry |
| 165.834 g/mol | RDKit | |
| 165.822 g/mol | chempirical lib | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.6227 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrachloroethylene | CAS Common Chemistry |
| Boiling Point | 121.3 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)=C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl4/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=CYTYCFOTNPOANT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -22.3 °C | CAS Common Chemistry |
| Name | Tetrachloroethylene | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 3.0682 | RDKit |
| 2.94 | chempirical lib | |
| Molar Refractivity | 30.438000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 163.87541072 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.
