Back to Search
Molecule
1,3-Dichloro-2,5-Difluorobenzene
CAS: 2367-80-8 · C6H2Cl2F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2367-80-8
- Molecular Formula
- C6H2Cl2F2
- Molecular Mass
- 182.98 g/mol
Identifiers
CAS Registry Number
2367-80-8
SMILES
Fc1cc(Cl)c(F)c(Cl)c1
InChI Key
XPBKEVCFKWTLHO-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
Names and Synonyms
- 1,3-Dichloro-2,5-Difluorobenzene Systematic Name
- Benzene, 1,3-dichloro-2,5-difluoro- Synonym
- 1,3-Dichloro-2,5-difluorobenzene Synonym
- 2,6-Dichloro-1,4-difluorobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.98 g/mol | CAS Common Chemistry |
| 182.984 g/mol | RDKit | |
| 182.978 g/mol | chempirical lib | |
| Canonical SMILES | FC=1C=C(Cl)C(F)=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H2Cl2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=XPBKEVCFKWTLHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -10-3.5 °C | CAS Common Chemistry |
| Name | 1,3-Dichloro-2,5-difluorobenzene | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 3.2716000000000003 | RDKit |
| 3.2716 | RDKit | |
| 2.98 | chempirical lib | |
| Molar Refractivity | 36.37800000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 181.950161864 g/mol | RDKit |
| Boiling Point | 65-66 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 182.98 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H2Cl2F2.
