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Molecule
1,1,2,2-Tetrachloroethane
CAS: 79-34-5 · C2H2Cl4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79-34-5
- Molecular Formula
- C2H2Cl4
- Molecular Mass
- 167.85 g/mol
Identifiers
CAS Registry Number
79-34-5
SMILES
ClC(Cl)C(Cl)Cl
InChI Key
QPFMBZIOSGYJDE-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
Names and Synonyms
- 1,1,2,2-Tetrachloroethane Systematic Name
- Ethane, 1,1,2,2-tetrachloro- Synonym
- 1,1,2,2-Tetrachloroethane Synonym
- Acetylene tetrachloride Synonym
- Bonoform Synonym
- Cellon Synonym
- sym-Tetrachloroethane Synonym
- Tetrachloroethane Synonym
- s-Tetrachloroethane Synonym
- 1,1,2,2-Tetrachlorethane Synonym
- 1,1,2,2-TCE Synonym
- TCA Synonym
- F 130 (halocarbon) Synonym
- F 130 Synonym
- NSC 60912 Synonym
- R 130 (refrigerant) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.85 g/mol | CAS Common Chemistry |
| 167.838 g/mol | chempirical lib | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.5953 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 165.891060784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 167.85 g/mol; density = 1.600 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H2Cl4.
