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2,3-Dichloro-1,1,1,4,4,4-Hexafluoro-2-Butene
CAS: 303-04-8 | C4Cl2F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
303-04-8
Molecular Formula:
C4Cl2F6
Molecular Mass:
232.94 g/mol
Names and Synonyms:
2,3-Dichloro-1,1,1,4,4,4-Hexafluoro-2-Butene
2-Butene, 2,3-dichloro-1,1,1,4,4,4-hexafluoro-
2-Butene, 2,3-dichlorohexafluoro-
2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene
2,3-Dichlorohexafluoro-2-butene
1,1,1,4,4,4-Hexafluoro-2,3-dichloro-2-butene
CFC 1316
CFC 1316mxx
1,1,1,4,4,4-Hexafluoro-2,3-dichlorobutene
R 1316
Identifiers:
SMILES:
FC(F)(F)C(Cl)=C(Cl)C(F)(F)F
InChI:
InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12
Key Properties
Boiling Point
68.5 °C
CAS Common Chemistry
Melting Point
-67.3 °C
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 | 232.94 g/mol | CAS Common Chemistry |
| 232.938 g/mol | RDKit | |
| 231.92812468 g/mol | RDKit | |
| Boiling Point | 68.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)=C(Cl)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12 | CAS Common Chemistry |
| InChI Key | InChIKey=XDIDQEGAKCWQQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -67.3 °C | CAS Common Chemistry |
| Name | 2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.8002 | RDKit |
| Molar Refractivity | 30.842000000000002 | RDKit |
