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Molecule
1,1,1-Trichloroethane
CAS: 71-55-6 · C2H3Cl3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71-55-6
- Molecular Formula
- C2H3Cl3
- Molecular Mass
- 133.41 g/mol
Identifiers
CAS Registry Number
71-55-6
SMILES
CC(Cl)(Cl)Cl
InChI Key
UOCLXMDMGBRAIB-UHFFFAOYSA-N
InChI
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
Names and Synonyms
- 1,1,1-Trichloroethane Synonym
- Ethane, 1,1,1-trichloro- Synonym
- Chlorten Synonym
- 1,1,1-Trichloroethane Synonym
- Chlorothene Synonym
- Methylchloroform Synonym
- α-Trichloroethane Synonym
- Aerothene TT Synonym
- Inhibisol Synonym
- Trichloroethane Synonym
- Chlorothene NU Synonym
- Methyltrichloromethane Synonym
- Chlorothene VG Synonym
- Chlorotene Synonym
- α-T Synonym
- CF 2 Synonym
- ICI-CF 2 Synonym
- Trichloromethylmethane Synonym
- 1,1,1-Trichlorethane Synonym
- Chlorothene SM Synonym
- Ethana NU Synonym
- Tafclean Synonym
- Cleanite Synonym
- Three One S Synonym
- Three One A Synonym
- HCC 140a Synonym
- F 140a Synonym
- Genklene LB Synonym
- TCA Synonym
- NSC 9367 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.41 g/mol | CAS Common Chemistry |
| 133.405 g/mol | RDKit | |
| 133.396 g/mol | chempirical lib | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.3376 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1,1-Trichloroethane | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UOCLXMDMGBRAIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30.4 °C | CAS Common Chemistry |
| Name | 1,1,1-Trichloroethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.376500000000001 | RDKit |
| 2.3765 | RDKit | |
| Molar Refractivity | 25.963999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 131.930033136 g/mol | RDKit |
| Boiling Point | 74.0 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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 = 133.41 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H3Cl3.
