≥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.
| Sonrisas canónicas | C1=C(C(=CC(=C1N)F)Cl)C#N |
|---|---|
| IUPAC Name | 5-amino-2-chloro-4-fluorobenzonitrile |
| InChIKey | AQGLHOVZNMAWIW-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClFN2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2H,11H2 |
| Isómeros SMILES | C1=C(C(=CC(=C1N)F)Cl)C#N |
| Peso molecular | 170.57 |
| Reaxy-Rn | 7634874 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7634874&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 | Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Nitriles Primary amines Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Benzonitrile - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Amine - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen 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 |
|---|---|---|---|
 H2312001 | Certificate of Analysis | May 20, 2026 | A586728 |
| H2312002 | Certificate of Analysis | May 20, 2026 | A586728 |
| H2312003 | Certificate of Analysis | May 20, 2026 | A586728 |
| H2312013 | Certificate of Analysis | May 20, 2026 | A586728 |
| I2515006 | Certificate of Analysis | Jul 29, 2023 | A586728 |
| Peso molecular | 170.570 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.005 Da |
| Monoisotopic Mass | 170.005 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
