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2,3-Dichloro-1,1,1-Trifluoropropane
CAS: 338-75-0 | C3H3Cl2F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
338-75-0
Molecular Formula:
C3H3Cl2F3
Molecular Mass:
166.96 g/mol
Names and Synonyms:
2,3-Dichloro-1,1,1-Trifluoropropane
Propane, 2,3-dichloro-1,1,1-trifluoro-
2,3-Dichloro-1,1,1-trifluoropropane
R 243db
1,2-Dichloro-3,3,3-trifluoropropane
1,1,1-Trifluoro-2,3-dichloropropane
HCFC 243db
HCFO 243db
HFO 1234db
243db
2,3-Dichloro-1,1,1-fluoropropane
Identifiers:
SMILES:
FC(F)(F)C(Cl)CCl
InChI:
InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2
Key Properties
Boiling Point
76.7 °C
CAS Common Chemistry
Density
1.43 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 | 166.96 g/mol | CAS Common Chemistry |
| 166.957 g/mol | RDKit | |
| 165.956390116 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.4310 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 76.7 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QJMGASHUZRHZBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dichloro-1,1,1-trifluoropropane | 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 | 2.3949000000000007 | RDKit |
| Molar Refractivity | 26.415999999999993 | RDKit |
