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2,4-Dichlorofluorobenzene
CAS: 1435-48-9 | C6H3Cl2F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1435-48-9
Molecular Formula:
C6H3Cl2F
Molecular Mass:
164.99 g/mol
Names and Synonyms:
2,4-Dichlorofluorobenzene
Benzene, 2,4-dichloro-1-fluoro-
2,4-Dichloro-1-fluorobenzene
2,4-Dichlorofluorobenzene
1-Fluoro-2,4-dichlorobenzene
1,3-Dichloro-4-fluorobenzene
2,6-Dichloro-3-fluorophenyl
1,3-Bischloro-4-fluorobenzene
2,4-Dichloro-1-fluorbenzene
Identifiers:
SMILES:
Fc1ccc(Cl)cc1Cl
InChI:
InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
Key Properties
Boiling Point
172-174 °C
CAS Common Chemistry
Melting Point
-13.8--13.2 °C
CAS Common Chemistry
Density
1.41 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 | 164.99 g/mol | CAS Common Chemistry |
| 164.994 g/mol | RDKit | |
| 163.959583676 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.4092 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 172-174 °C | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=C(Cl)C=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=BDJZCCWUSOZUQG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -13.8--13.2 °C | CAS Common Chemistry |
| Name | 2,4-Dichlorofluorobenzene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1325000000000003 | RDKit |
| Molar Refractivity | 36.42000000000001 | RDKit |
