≥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 |
|---|---|
| IUPAC Name | 2,5-difluorobenzonitrile |
| InChIKey | OJTMHIMQUQOLJV-UHFFFAOYSA-N |
| INCHI | 1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1F)C#N)F |
| WGK Germany | 3 |
| Molecular Weight | 139.1 |
| Beilstein | 2085640 |
| Reaxy-Rn | 2085640 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085640&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 | 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 |
|---|---|---|---|
 H1420044 | Certificate of Analysis | Mar 20, 2026 | D122739 |
| D1421031 | Certificate of Analysis | Nov 10, 2025 | D122739 |
| L2209346 | Certificate of Analysis | Nov 01, 2022 | D122739 |
| L2209456 | Certificate of Analysis | Nov 01, 2022 | D122739 |
| L2416692 | Certificate of Analysis | Nov 01, 2022 | D122739 |
| Flash Point(°F) | 172.4 °F |
|---|---|
| Flash Point(°C) | 77°C(170°F) |
| Boil Point(°C) | 92°C/30mmHg |
| Melt Point(°C) | 31-35°C |
| Molecular Weight | 139.100 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 139.023 Da |
| Monoisotopic Mass | 139.023 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
