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Molecule
Sulfuryl Chloride Fluoride
CAS: 13637-84-8 · ClFO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13637-84-8
- Molecular Formula
- ClFO2S
- Molecular Mass
- 118.52 g/mol
Identifiers
CAS Registry Number
13637-84-8
SMILES
O=S(=O)(F)Cl
InChI Key
IXPAAHZTOUOJJM-UHFFFAOYSA-N
InChI
InChI=1S/ClFO2S/c1-5(2,3)4
Names and Synonyms
- Sulfuryl Chloride Fluoride Common Name
- Fluorosulfonyl chloride Synonym
- Sulfuryl chloride fluoride Synonym
- Chlorosulfonyl fluoride Synonym
- Fluorosulfuryl chloride Synonym
- Chloro fluoro sulfone Synonym
- Sulfuryl fluoride chloride Synonym
- Sulfonyl chloride fluoride Synonym
- Sulfuryl chlorofluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.52 g/mol | CAS Common Chemistry |
| 118.516 g/mol | RDKit | |
| 118.506 g/mol | chempirical lib | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.623 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfuryl_chloride_fluoride | CAS Common Chemistry |
| Boiling Point | 7.1 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/ClFO2S/c1-5(2,3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=IXPAAHZTOUOJJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -124.7 °C | CAS Common Chemistry |
| Name | Sulfuryl chloride fluoride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 0.4395000000000001 | RDKit |
| 0.4395 | RDKit | |
| Molar Refractivity | 15.8808 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 117.92915614 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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Quick conversion
MW = 118.52 g/mol; density = 1.620 g/mL. Edit any field — others recompute live.
