≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756638 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756638 |
| Canonical Smiles | C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl |
| IUPAC Name | 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole |
| InChIKey | ZMYFCFLJBGAQRS-IAGOWNOFSA-N |
| INCHI | 1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl |
| Molecular Weight | 329.76 |
| Reaxy-Rn | 8150613 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8150613&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 | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Triazoles Heteroaromatic compounds Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Azacycle - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | 1-\{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl\}-1H-1,2,4-triazole |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2402112 | Certificate of Analysis | Apr 03, 2026 | E276054 |
| K2224420 | Certificate of Analysis | Dec 12, 2025 | E276054 |
| K2224422 | Certificate of Analysis | Dec 12, 2025 | E276054 |
| K2224423 | Certificate of Analysis | Dec 12, 2025 | E276054 |
| K2224424 | Certificate of Analysis | Dec 12, 2025 | E276054 |
| J2531730 | Certificate of Analysis | Nov 03, 2025 | E276054 |
| Solubility | Soluble in water |
|---|---|
| Molecular Weight | 329.800 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.073 Da |
| Monoisotopic Mass | 329.073 Da |
| Topological Polar Surface Area | 43.200 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 421.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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. You Weng, Ting Xu, Caihong Wang, Yuanxiang Jin. (2023) Oral Exposure to Epoxiconazole Disturbed the Gut Micro-Environment and Metabolic Profiling in Male Mice. Metabolites, 13 (4): (522). [PMID:37110180] [10.3390/metabo13040522] |
| 2. Jianan Liu, Jinjin Cheng, Chunli Zhou, Liya Ma, Xiaolong Chen, Yong Li, Xing Sun, Xiaolong Yan, Renhua Geng, Qun Wan, Xiangyang Yu. (2022) Uptake kinetics and subcellular distribution of three classes of typical pesticides in rice plants. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:36374729] [10.1016/j.scitotenv.2022.159826] |
| 3. Li Haocong, Li Yong, Wang Wenfeng, Wan Qun, Yu Xiangyang, Sun Wenjing. (2021) Uptake, translocation, and subcellular distribution of three triazole pesticides in rice. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH, 29 (17): (25581-25590). [PMID:34850341] [10.1007/s11356-021-17467-6] |
| 4. Jin Liu, Yuanjun Nie, Yu Niu, Li Li, Xu Jing. (2024) Lignin-based emulsive liquid-liquid microextraction for detecting triazole fungicides in water, juice, vinegar, and alcoholic beverages via UHPLC-MS/MS. FOOD CHEMISTRY, [PMID:39018619] [10.1016/j.foodchem.2024.140407] |
| 5. Longhui Luo, Dongmei Chen, Xiufang Yan, Chao Kang, Wei Tian, Qian Liu, Xiaoying Yang, Tingting Chen, Youhua Long. (2025) Dynamic visual monitoring of triazole pesticide residues and penetration behavior in fruits and vegetables by surface-enhanced Raman spectroscopy combined with chemometrics. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.114057] |
| 6. Yuxin Wang, Jin Liu, Suzhen Li, Jizhen Fu, Xiaowen Wang, Li Li, Xu Jing. (2025) Automated high-throughput dispersive liquid-liquid microextraction coupled with UHPLC-MS/MS for detecting triazole fungicides in water, juices, wine, and tea. Food Chemistry-X, [PMID:40686910] [10.1016/j.fochx.2025.102712] |
