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1,2-Dichloro-1,1,2-Trifluoro-2-Iodoethane
CAS: 354-61-0 | C2Cl2F3I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
354-61-0
Molecular Formula:
C2Cl2F3I
Molecular Mass:
278.83 g/mol
Names and Synonyms:
1,2-Dichloro-1,1,2-Trifluoro-2-Iodoethane
1,2-Dichloro-1,1,2-trifluoro-2-iodoethane
Ethane, 1,2-dichloro-1,1,2-trifluoro-2-iodo-
1,2-Dichloro-1,2,2-trifluoro-1-iodoethane
1,2-Dichloro-1-iodo-1,2,2-trifluoroethane
1,2-Dichloro-2-iodo-1,1,2-trifluoroethane
1,2-Dichloro-1-iodotrifluoroethane
1-Iodo-1,2-dichloro-1,2,2-trifluoroethane
Identifiers:
SMILES:
FC(F)(Cl)C(F)(Cl)I
InChI:
InChI=1S/C2Cl2F3I/c3-1(5,6)2(4,7)8
Key Properties
Boiling Point
99 °C
CAS Common Chemistry
Density
2.20 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 | 278.83 g/mol | CAS Common Chemistry |
| 278.826 g/mol | RDKit | |
| 277.83738802 g/mol | RDKit | |
| Density | 2.20 g/cm³ | CAS Common Chemistry |
| 2.1959 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 99 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)C(F)(Cl)I | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl2F3I/c3-1(5,6)2(4,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=HCUGPHQZDLROAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Dichloro-1,1,2-trifluoro-2-iodoethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 3.1151 | RDKit |
| Molar Refractivity | 34.512 | RDKit |
