≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Canonical Smiles | C1=CC(=CC=C1C#N)OS(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | (4-cyanophenyl) trifluoromethanesulfonate |
| InChIKey | KKETVWGQXANCHL-UHFFFAOYSA-N |
| INCHI | 1S/C8H4F3NO3S/c9-8(10,11)16(13,14)15-7-3-1-6(5-12)2-4-7/h1-4H |
| Isomeric SMILES | C1=CC(=CC=C1C#N)OS(=O)(=O)C(F)(F)F |
| Alternate CAS | 66107-32-2 |
| PubChem CID | 550182 |
| Molecular Weight | 251.18 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Trifluoromethanesulfonates Phenoxy compounds Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Nitriles Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Phenoxy compound - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Nitrile - Carbonitrile - Halomethane - Alkyl fluoride - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2506428 | Certificate of Analysis | May 24, 2025 | C768703 |
| F2506431 | Certificate of Analysis | May 24, 2025 | C768703 |
| F2513706 | Certificate of Analysis | May 24, 2025 | C768703 |
| F2513707 | Certificate of Analysis | May 24, 2025 | C768703 |
| F2513708 | Certificate of Analysis | May 24, 2025 | C768703 |
| F2513709 | Certificate of Analysis | May 24, 2025 | C768703 |
| Molecular Weight | 251.180 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.986 Da |
| Monoisotopic Mass | 250.986 Da |
| Topological Polar Surface Area | 75.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| 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 |
