≥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 | 488194592 |
|---|---|
| Sonrisas canónicas | COC1=C(C=C(C(=C1)F)C#N)F |
| IUPAC Name | 2,5-difluoro-4-methoxybenzonitrile |
| InChIKey | WQQDILMHKBTFNR-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F2NO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,1H3 |
| Isómeros SMILES | COC1=C(C=C(C(=C1)F)C#N)F |
| Peso molecular | 169.13 |
| Reaxy-Rn | 23305041 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23305041&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Nitriles Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 C2317878 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317880 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317924 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317925 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317936 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317979 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317985 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| C2317988 | Certificate of Analysis | Feb 28, 2023 | D578705 |
| Peso molecular | 169.130 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 169.034 Da |
| Monoisotopic Mass | 169.034 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| 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 |
