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2,2,3,3-Tetrafluorobutanedioyl Dichloride
CAS: 356-15-0 | C4Cl2F4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
356-15-0
Molecular Formula:
C4Cl2F4O2
Molecular Mass:
226.94 g/mol
Names and Synonyms:
2,2,3,3-Tetrafluorobutanedioyl Dichloride
Butanedioyl dichloride, 2,2,3,3-tetrafluoro-
Succinyl chloride, tetrafluoro-
Butanedioyl dichloride, tetrafluoro-
2,2,3,3-Tetrafluorobutanedioyl dichloride
Tetrafluorosuccinoyl chloride
Identifiers:
SMILES:
O=C(Cl)C(F)(F)C(F)(F)C(=O)Cl
InChI:
InChI=1S/C4Cl2F4O2/c5-1(11)3(7,8)4(9,10)2(6)12
Key Properties
Boiling Point
54 °C @ Press: 758 Torr
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 | 226.94 g/mol | CAS Common Chemistry |
| 225.92114748 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.6032 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 54 °C @ Press: 758 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C(F)(F)C(F)(F)C(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl2F4O2/c5-1(11)3(7,8)4(9,10)2(6)12 | CAS Common Chemistry |
| InChI Key | InChIKey=XCSFZFHJQXODPO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,3,3-Tetrafluorobutanedioyl dichloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 1.7877999999999998 | RDKit |
| Molar Refractivity | 31.614000000000004 | RDKit |
