≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | FC1(F)Oc2cccc(c2O1)-c3c[nH]cc3C#N |
|---|---|
| IUPAC Name | 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile |
| InChIKey | MUJOIMFVNIBMKC-UHFFFAOYSA-N |
| INCHI | 1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H |
| Isomeric SMILES | C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N |
| WGK Germany | 3 |
| RTECS | UX9347525 |
| UN Number | 3077 |
| Molecular Weight | 248.19 |
| Beilstein | 8393936 |
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 | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Substituted pyrroles Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Oxacycle - Azacycle - Nitrile - Carbonitrile - Organopnictogen compound - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Pesticides |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2529398 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529399 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529402 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529403 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529404 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529405 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529406 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| E2529410 | Certificate of Analysis | Apr 26, 2025 | F769319 |
| Molecular Weight | 248.180 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 248.04 Da |
| Monoisotopic Mass | 248.04 Da |
| Topological Polar Surface Area | 58.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 382.000 |
| 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. Chengqi Zhang, Ying Wang, Ziyun He, Aoran Wang, Zikuo Li, Xuheng Gao, Haoxue Xia, Wende Liu, Guangfei Tang. (2025) A Novel Point Mutation (L837F) in Osmosensor-like Histidine Kinase FgOs1 Drives Potent Fludioxonil Resistance in Fusarium graminearum. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:40875903] [10.1021/acs.jafc.5c07484] |
| 2. Panpan Ma, Haiyuan Zhang, Mingyu Cui, Yuqi Zhang, Zhongyu Cai. (2025) Two-dimensional photonic hydrogel aptasensors for selective detection of pesticide carbendazim. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.115970] |
