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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(CS(=O)(=O)Cl)C(F)F |
|---|---|
| IUPAC Name | 3,3-difluoropropane-1-sulfonyl chloride |
| InChIKey | YOACIDRNEANCHK-UHFFFAOYSA-N |
| INCHI | 1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2 |
| Isomeric SMILES | C(CS(=O)(=O)Cl)C(F)F |
| Alternate CAS | 1314907-49-7 |
| PubChem CID | 55263296 |
| Molecular Weight | 178.58 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Sulfonyl halides |
| Subclass | Sulfonyl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonyl chlorides |
| Alternative Parents | Sulfonyls Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine atom. |
| External Descriptors | Not available |
| Molecular Weight | 178.590 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.967 Da |
| Monoisotopic Mass | 177.967 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |