Back to Search
2,4-Dichloro-1,3,5-Trifluorobenzene
CAS: 2368-53-8 | C6HCl2F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2368-53-8
Molecular Formula:
C6HCl2F3
Molecular Mass:
200.97 g/mol
Names and Synonyms:
2,4-Dichloro-1,3,5-Trifluorobenzene
Benzene, 2,4-dichloro-1,3,5-trifluoro-
2,4-Dichloro-1,3,5-trifluorobenzene
1,3,5-Trifluoro-2,4-dichlorobenzene
1,3-Dichloro-2,4,6-trifluorobenzene
Identifiers:
SMILES:
Fc1cc(F)c(Cl)c(F)c1Cl
InChI:
InChI=1S/C6HCl2F3/c7-4-2(9)1-3(10)5(8)6(4)11/h1H
Key Properties
Boiling Point
161-162 °C
CAS Common Chemistry
Melting Point
-11--10 °C
CAS Common Chemistry
Density
1.60 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 | 200.97 g/mol | CAS Common Chemistry |
| 200.974 g/mol | RDKit | |
| 199.940740052 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.599 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 161-162 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1C=C(F)C(Cl)=C(F)C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6HCl2F3/c7-4-2(9)1-3(10)5(8)6(4)11/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=UOGVNYNJSZHQCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -11--10 °C | CAS Common Chemistry |
| Name | 2,4-Dichloro-1,3,5-trifluorobenzene | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 3.4107000000000003 | RDKit |
| Molar Refractivity | 36.336000000000006 | RDKit |
