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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 Weight:
130.977 g/mol
Names and Synonyms:
1,2-Dichloro-2-Fluoropropane
1,2-Dichloro-2-fluoropropane
Propane, 1,2-dichloro-2-fluoro-
Identifiers:
SMILES:
CC(F)(Cl)CCl
InChI:
InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.977 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.97523374 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.1497 | RDKit |
| cas-canonical-smile | FC(Cl)(C)CCl None | Legacy Database |
| molecular_mass | 130.98 g/mol | Legacy Database |
| density | 1.26 g/cm³ | Legacy Database |
| cas-boiling-point | 88.6 °C None | Legacy Database |
| cas-density | 1.2618 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OTKOPXLUNRNYCD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -91.7 °C None | Legacy Database |
| cas-name | 1,2-Dichloro-2-fluoropropane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.085999999999995 | RDKit |
