≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C Ships Hielo húmedo 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 | 488200094 |
|---|---|
| Sonrisas canónicas | C1=CC(=CC(=C1)C(F)F)C#N |
| IUPAC Name | 3-(difluoromethyl)benzonitrile |
| InChIKey | IIIPGVXKHUPPJQ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8H |
| Isómeros SMILES | C1=CC(=CC(=C1)C(F)F)C#N |
| WGK Alemania | 3 |
| Peso molecular | 153.13 |
| Reaxy-Rn | 1940712 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940712&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 | Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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 |
|---|---|---|---|
 D2312861 | Certificate of Analysis | Jan 21, 2026 | D170983 |
| D2312862 | Certificate of Analysis | Jan 21, 2026 | D170983 |
| D2312863 | Certificate of Analysis | Jan 21, 2026 | D170983 |
| D2312866 | Certificate of Analysis | Jan 21, 2026 | D170983 |
| D2312870 | Certificate of Analysis | Jan 21, 2026 | D170983 |
| D2312871 | Certificate of Analysis | Jan 21, 2026 | D170983 |
| Índice de refracción | 1.496 |
|---|---|
| Punto de inflamación (°F) | >230 °F |
| Punto de inflamación (°C) | >110 °C |
| Peso molecular | 153.130 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 153.039 Da |
| Monoisotopic Mass | 153.039 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| 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 |
