≥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.
| Canonical Smiles | C1=CC(=C(C(=C1F)C#N)F)F |
|---|---|
| IUPAC Name | 2,3,6-trifluorobenzonitrile |
| InChIKey | YWTXHALVWAISPR-UHFFFAOYSA-N |
| INCHI | 1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H |
| Isomeric SMILES | C1=CC(=C(C(=C1F)C#N)F)F |
| WGK Germany | 3 |
| PubChem CID | 145622 |
| Molecular Weight | 157.09 |
| Beilstein | 5427616 |
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 | Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - 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 |
|---|---|---|---|
 C2513750 | Certificate of Analysis | Oct 09, 2024 | T122753 |
| C2513751 | Certificate of Analysis | Oct 09, 2024 | T122753 |
| C2513752 | Certificate of Analysis | Oct 09, 2024 | T122753 |
| C2513753 | Certificate of Analysis | Oct 09, 2024 | T122753 |
| Refractive Index | 1.47 |
|---|---|
| Flash Point(°F) | 174.2 °F |
| Flash Point(°C) | 78°C(172°F) |
| Boil Point(°C) | 179°C |
| Molecular Weight | 157.090 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 157.014 Da |
| Monoisotopic Mass | 157.014 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 |
