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1,2-Dichloro-2-Fluoropropane
CAS: 420-97-3 | C3H5Cl2F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
420-97-3
Molecular Formula:
C3H5Cl2F
Molecular Mass:
130.98 g/mol
Names and Synonyms:
1,2-Dichloro-2-Fluoropropane
Propane, 1,2-dichloro-2-fluoro-
1,2-Dichloro-2-fluoropropane
Identifiers:
SMILES:
CC(F)(Cl)CCl
InChI:
InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3
Key Properties
Boiling Point
88.6 °C
CAS Common Chemistry
Melting Point
-91.7 °C
CAS Common Chemistry
Density
1.26 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 | 130.98 g/mol | CAS Common Chemistry |
| 130.977 g/mol | RDKit | |
| 129.97523374 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2618 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 88.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)(C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OTKOPXLUNRNYCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -91.7 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-2-fluoropropane | 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 | 2.1497 | RDKit |
| Molar Refractivity | 26.085999999999995 | RDKit |
