≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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(=C1C#N)F)N)F |
|---|---|
| IUPAC Name | 3-amino-2,4-difluorobenzonitrile |
| InChIKey | VMQYTWJHVLONIU-UHFFFAOYSA-N |
| INCHI | 1S/C7H4F2N2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,11H2 |
| Isomeric SMILES | C1=CC(=C(C(=C1C#N)F)N)F |
| Molecular Weight | 154.12 |
| Reaxy-Rn | 29351384 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29351384&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 | Aniline and substituted anilines Fluorobenzenes Aryl fluorides Nitriles Primary amines Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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 |
|---|---|---|---|
 H2318165 | Certificate of Analysis | Jun 08, 2026 | A587352 |
| H2318166 | Certificate of Analysis | Jun 08, 2026 | A587352 |
| H2318168 | Certificate of Analysis | Jun 08, 2026 | A587352 |
| I2522009 | Certificate of Analysis | Aug 01, 2023 | A587352 |
| Sensitivity | light sensitive；Moisture sensitive |
|---|---|
| Molecular Weight | 154.120 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 154.034 Da |
| Monoisotopic Mass | 154.034 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
