≥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 | 488199959 |
|---|---|
| Canonical Smiles | C1=C(C=C(C(=C1F)C#N)F)C=O |
| IUPAC Name | 2,6-difluoro-4-formylbenzonitrile |
| InChIKey | TUOLCSUKMUVDOE-UHFFFAOYSA-N |
| INCHI | 1S/C8H3F2NO/c9-7-1-5(4-12)2-8(10)6(7)3-11/h1-2,4H |
| Isomeric SMILES | C1=C(C=C(C(=C1F)C#N)F)C=O |
| Molecular Weight | 167.1 |
| Reaxy-Rn | 9902810 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9902810&ln= |
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 | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Benzonitriles Benzaldehydes Fluorobenzenes Aryl fluorides Nitriles Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzaldehyde - Benzonitrile - Benzoyl - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aldehyde - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| 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 |
|---|---|---|---|
 G2304524 | Certificate of Analysis | Apr 03, 2026 | D184534 |
| E2527078 | Certificate of Analysis | Jun 13, 2025 | D184534 |
| D2126164 | Certificate of Analysis | Feb 20, 2024 | D184534 |
| D2126165 | Certificate of Analysis | Feb 20, 2024 | D184534 |
| D2126166 | Certificate of Analysis | Feb 20, 2024 | D184534 |
| D2126167 | Certificate of Analysis | Feb 20, 2024 | D184534 |
| Molecular Weight | 167.110 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.018 Da |
| Monoisotopic Mass | 167.018 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| 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 |
