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Hexachloroethane
CAS: 67-72-1 | C2Cl6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-72-1
Molecular Formula:
C2Cl6
Molecular Mass:
236.74 g/mol
Names and Synonyms:
Hexachloroethane
Ethane, 1,1,1,2,2,2-hexachloro-
Ethane, hexachloro-
1,1,1,2,2,2-Hexachloroethane
Avlothane
Ethane hexachloride
Hexachloroethane
Perchloroethane
Phenohep
Hexachlorethane
Hexachloroethylene
Fasciolin
Egitol
Mottenhexe
Falkitol
Distokal
Distopan
Distopin
Fron 110
NSC 9224
1,2-Dichloro-1,1,2,2-tetrachloroethane
Identifiers:
SMILES:
ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChI:
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
Key Properties
Boiling Point
185 °C
CAS Common Chemistry
Melting Point
183-185 °C (sublm)
CAS Common Chemistry
Density
2.09 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 | 236.74 g/mol | CAS Common Chemistry |
| 233.81311608 g/mol | RDKit | |
| Density | 2.09 g/cm³ | CAS Common Chemistry |
| 2.091 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexachloroethane | CAS Common Chemistry |
| Boiling Point | 185 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)(Cl)C(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=VHHHONWQHHHLTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183-185 °C (sublm) | CAS Common Chemistry |
| Name | Hexachloroethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 3.7268 | RDKit |
| Molar Refractivity | 40.580000000000005 | RDKit |
