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Molecule
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
Identifiers
CAS Registry Number
67-72-1
SMILES
ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChI Key
VHHHONWQHHHLTI-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
Names and Synonyms
- Hexachloroethane Synonym
- Ethane, 1,1,1,2,2,2-hexachloro- Synonym
- Ethane, hexachloro- Synonym
- 1,1,1,2,2,2-Hexachloroethane Synonym
- Avlothane Synonym
- Ethane hexachloride Synonym
- Hexachloroethane Synonym
- Perchloroethane Synonym
- Phenohep Synonym
- Hexachlorethane Synonym
- Hexachloroethylene Synonym
- Fasciolin Synonym
- Egitol Synonym
- Mottenhexe Synonym
- Falkitol Synonym
- Distokal Synonym
- Distopan Synonym
- Distopin Synonym
- Fron 110 Synonym
- NSC 9224 Synonym
- 1,2-Dichloro-1,1,2,2-tetrachloroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.74 g/mol | CAS Common Chemistry |
| 236.722 g/mol | chempirical lib | |
| Density | 2.09 g/cm³ | CAS Common Chemistry |
| 2.091 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 233.81311608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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.
External Resources
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MW = 236.74 g/mol; density = 2.090 g/mL. Edit any field — others recompute live.
