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1,1,2,2-Tetrachloroethane
CAS: 79-34-5 | C2H2Cl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-34-5
Molecular Formula:
C2H2Cl4
Molecular Mass:
167.85 g/mol
Names and Synonyms:
1,1,2,2-Tetrachloroethane
Ethane, 1,1,2,2-tetrachloro-
1,1,2,2-Tetrachloroethane
Acetylene tetrachloride
Bonoform
Cellon
sym-Tetrachloroethane
Tetrachloroethane
s-Tetrachloroethane
1,1,2,2-Tetrachlorethane
1,1,2,2-TCE
TCA
F 130 (halocarbon)
F 130
NSC 60912
R 130 (refrigerant)
Identifiers:
SMILES:
ClC(Cl)C(Cl)Cl
InChI:
InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
Key Properties
Boiling Point
46.5 °C
CAS Common Chemistry
Melting Point
-43.8 °C
CAS Common Chemistry
Density
1.60 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 | 167.85 g/mol | CAS Common Chemistry |
| 165.891060784 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.5953 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1,2,2-Tetrachloroethane | CAS Common Chemistry |
| Boiling Point | 46.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=QPFMBZIOSGYJDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -43.8 °C | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrachloroethane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5938 | RDKit |
| Molar Refractivity | 30.988 | RDKit |
