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1,2-Dichlorohexafluorocyclobutane
CAS: 356-18-3 | C4Cl2F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
356-18-3
Molecular Formula:
C4Cl2F6
Molecular Mass:
232.94 g/mol
Names and Synonyms:
1,2-Dichlorohexafluorocyclobutane
Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro-
Cyclobutane, 1,2-dichlorohexafluoro-
1,2-Dichloro-1,2,3,3,4,4-hexafluorocyclobutane
1,2-Dichloroperfluorocyclobutane
1,2-Dichlorohexafluorocyclobutane
RC 316
Identifiers:
SMILES:
FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl
InChI:
InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
Key Properties
Boiling Point
59.87 °C
CAS Common Chemistry
Melting Point
58.5 °C
CAS Common Chemistry
Density
1.64 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 | 232.94 g/mol | CAS Common Chemistry |
| 232.938 g/mol | RDKit | |
| 231.92812468 g/mol | RDKit | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.6441 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 59.87 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10 | CAS Common Chemistry |
| InChI Key | InChIKey=LMHAGAHDHRQIMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.5 °C | CAS Common Chemistry |
| Name | 1,2-Dichlorohexafluorocyclobutane | 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 | 3.0798000000000005 | RDKit |
| Molar Refractivity | 29.278 | RDKit |
