≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C=C1C#N)F)F |
|---|---|
| IUPAC Name | 3,4-difluorobenzonitrile |
| InChIKey | BTBFCBQZFMQBNT-UHFFFAOYSA-N |
| INCHI | 1S/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1C#N)F)F |
| WGK Germany | 3 |
| Molecular Weight | 139.1 |
| Beilstein | 2082224 |
| Reaxy-Rn | 2082224 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082224&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 |
|---|---|---|---|
 G1404013 | Certificate of Analysis | Jan 27, 2026 | D122740 |
| A2218343 | Certificate of Analysis | Oct 29, 2025 | D122740 |
| A2218349 | Certificate of Analysis | Oct 29, 2025 | D122740 |
| A2218353 | Certificate of Analysis | Oct 29, 2025 | D122740 |
| A2408788 | Certificate of Analysis | Nov 25, 2023 | D122740 |
| A2408789 | Certificate of Analysis | Nov 25, 2023 | D122740 |
| A2509073 | Certificate of Analysis | Dec 24, 2021 | D122740 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 156.2 °F |
| Flash Point(°C) | 69°C(156°F) |
| Boil Point(°C) | 95°C/45mmHg |
| Melt Point(°C) | 50 °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 |
| 1. Wang Jun, Xu Ya Zhen, Fu Ya Fei, Liu Xiang Dong. (2016) Latent curing systems stabilized by reaction equilibrium in homogeneous mixtures of benzoxazine and amine. Scientific Reports, 6 (1): (1-7). [PMID:27917932] [10.1038/srep38584] |
