≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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.
| Pubchem Sid | 488187384 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187384 |
| Canonical Smiles | C(F)(F)(F)S(=O)(=O)O |
| IUPAC Name | deuterio trifluoromethanesulfonate |
| InChIKey | ITMCEJHCFYSIIV-DYCDLGHISA-N |
| INCHI | 1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)/i/hD |
| Isomeric SMILES | [2H]OS(=O)(=O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 105320 |
| UN Number | 3265 |
| Packing Group | II |
| Molecular Weight | 151.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Alkanesulfonic acids and derivatives - Alkanesulfonic acids |
| Direct Parent | Trifluoromethanesulfonates |
| Alternative Parents | Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Trifluoromethanesulfonate - Sulfonyl - Organosulfonic acid - Methanesulfonate - Trihalomethane - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group. |
| External Descriptors | Not available |
| Boil Point(°C) | 162 °C (lit.) |
|---|---|
| Melt Point(°C) | 23.85° C (Predicted) |
| Molecular Weight | 151.090 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.966 Da |
| Monoisotopic Mass | 150.966 Da |
| Topological Polar Surface Area | 62.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| Isotope Atom Count | 1 |
| 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 |
C2309877