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Molecule
2,4-Dichlorofluorobenzene
CAS: 1435-48-9 · C6H3Cl2F
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1435-48-9
- Molecular Formula
- C6H3Cl2F
- Molecular Mass
- 164.99 g/mol
Identifiers
CAS Registry Number
1435-48-9
SMILES
Fc1ccc(Cl)cc1Cl
InChI Key
BDJZCCWUSOZUQG-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
Names and Synonyms
- 2,4-Dichlorofluorobenzene Systematic Name
- Benzene, 2,4-dichloro-1-fluoro- Synonym
- 2,4-Dichloro-1-fluorobenzene Synonym
- 2,4-Dichlorofluorobenzene Synonym
- 1-Fluoro-2,4-dichlorobenzene Synonym
- 1,3-Dichloro-4-fluorobenzene Synonym
- 2,6-Dichloro-3-fluorophenyl Synonym
- 1,3-Bischloro-4-fluorobenzene Synonym
- 2,4-Dichloro-1-fluorbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.99 g/mol | CAS Common Chemistry |
| 164.994 g/mol | RDKit | |
| 164.988 g/mol | chempirical lib | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.4092 g/cm3 @ 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 |
| 3.1325 | RDKit | |
| Molar Refractivity | 36.42000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 163.959583676 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
External Resources
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Quick conversion
MW = 164.99 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H3Cl2F.
