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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
Names and Synonyms:
Tetrachloroethylene
Ethene, 1,1,2,2-tetrachloro-
Ethylene, tetrachloro-
Ethene, tetrachloro-
1,1,2,2-Tetrachloroethene
Ankilostin
Didakene
Ethylene tetrachloride
Nema
Perchloroethylene
PerSec
Tetracap
Tetrachloroethylene
1,1,2,2-Tetrachloroethylene
Tetrachlorethylene
Perchlorethylene
Tetrachloroethene
Antisal 1
Tetraguer
Fedal-Un
Tetraleno
Tetropil
Perclene
Tetlen
Dilatin PT
Freon 1110
Perchloroethene
F 1110 (halocarbon)
F 1110
PCE
R 1110
Perklone
PCE (chlorohydrocarbon)
NSC 9777
Asahi Perchlor
Persa P 3
LXGL 15
Identifiers:
SMILES:
ClC(Cl)=C(Cl)Cl
InChI:
InChI=1S/C2Cl4/c3-1(4)2(5)6
Key Properties
Boiling Point
121.3 °C
CAS Common Chemistry
Melting Point
-22.3 °C
CAS Common Chemistry
Density
1.62 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 | 165.83 g/mol | CAS Common Chemistry |
| 165.834 g/mol | RDKit | |
| 163.87541072 g/mol | RDKit | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.6227 g/cm3 @ Temp: 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 |
| Molar Refractivity | 30.438000000000002 | RDKit |
