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Perfluorobutanesulfonyl Fluoride
CAS: 375-72-4 | C4F10O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
375-72-4
Molecular Formula:
C4F10O2S
Molecular Mass:
302.09 g/mol
Names and Synonyms:
Perfluorobutanesulfonyl Fluoride
1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-
1-Butanesulfonyl fluoride, nonafluoro-
1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride
Perfluorobutylsulfonyl fluoride
Nonafluorobutanesulfonyl fluoride
Perfluorobutanesulfonyl fluoride
Nonaflyl fluoride
Perfluoro-1-butanesulfonyl fluoride
n-Nonafluorobutanesulfonyl fluoride
1,1,2,2,3,3,4,4,4-Nonafluorobutan-1-sulfonyl fluoride
Nonafluoro-1-butanesulfonyl fluoride
Perfluorobutan-1-sulfonyl fluoride
1,1,2,2,3,3,4,4,4-Nonafluorobutanesulfonyl fluoride
Nonafluorobutanesulfonic acid fluoride
Identifiers:
SMILES:
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
Key Properties
Boiling Point
64 °C
CAS Common Chemistry
Melting Point
<-120 °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 | 302.09 g/mol | CAS Common Chemistry |
| 302.08899999999994 g/mol | RDKit | |
| 301.94593244 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorobutanesulfonyl_fluoride | CAS Common Chemistry |
| Boiling Point | 64 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16 | CAS Common Chemistry |
| InChI Key | InChIKey=LUYQYZLEHLTPBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-120 °C | CAS Common Chemistry |
| Name | 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride | CAS Common Chemistry |
| Perfluorobutanesulfonyl fluoride | CAS Common Chemistry | |
| Heavy Atom Count | 17 | 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 | 2.7114 | RDKit |
| Molar Refractivity | 30.92380000000001 | RDKit |
