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Molecule
1,2-Dichloro-1,1,2-Trifluoroethane
CAS: 354-23-4 · C2HCl2F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 354-23-4
- Molecular Formula
- C2HCl2F3
- Molecular Mass
- 152.93 g/mol
Identifiers
CAS Registry Number
354-23-4
SMILES
FC(Cl)C(F)(F)Cl
InChI Key
YMRMDGSNYHCUCL-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H
Names and Synonyms
- 1,2-Dichloro-1,1,2-Trifluoroethane Synonym
- Ethane, 1,2-dichloro-1,1,2-trifluoro- Synonym
- 1,2-Dichloro-1,1,2-trifluoroethane Synonym
- R 123a Synonym
- CFC 123a Synonym
- 1,2-Dichloro-1,2,2-trifluoroethane Synonym
- HCFC 123a Synonym
- F 123a Synonym
- 1,1,2-Trifluoro-1,2-dichloroethane Synonym
- 1,2-Dichlorotrifluoroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.93 g/mol | CAS Common Chemistry |
| 152.924 g/mol | chempirical lib | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.496 g/cm3 @ 10 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dichloro-1,1,2-trifluoroethane | CAS Common Chemistry |
| Boiling Point | 28 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)C(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=YMRMDGSNYHCUCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -78 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-1,1,2-trifluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 2.3524000000000003 | RDKit |
| 2.3524 | RDKit | |
| Molar Refractivity | 21.549 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.940740052 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
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40
20
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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MW = 152.93 g/mol; density = 1.500 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2HCl2F3.
