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analytical standard, ≥98% Analytical standard 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 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl |
|---|---|
| IUPAC Name | 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
| InChIKey | BQYJATMQXGBDHF-UHFFFAOYSA-N |
| INCHI | 1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3 |
| Isómeros SMILES | CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl |
| WGK Alemania | 3 |
| RTECS | XZ4380000 |
| Peso molecular | 406.26 |
| Beilstein | 9073356 |
| Reaxy-Rn | 9073356 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9073356&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 | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Phenoxy compounds Phenol ethers Ketals Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Chlorobenzene - Ketal - Halobenzene - Aryl chloride - Aryl halide - Meta-dioxolane - Azole - Heteroaromatic compound - 1,2,4-triazole - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Conazole fungicides |
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| Punto de ebullición (°C) | 220°C |
|---|---|
| Punto de fusión (°C) | 76°C |
| Peso molecular | 406.300 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 405.065 Da |
| Monoisotopic Mass | 405.065 Da |
| Topological Polar Surface Area | 58.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 495.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yingming Duan, Yiquan Huang, Liling Huang, Zhangmin Xiang, Jian Liu, Shuqin Liu, Zhuo Chen. (2023) In vivo tracing of triazole pesticides in Chinese cabbage via a novel solid-phase microextraction fiber. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2023.110143] |
| 2. Qingshan Feng, Lei Han, Qiong Wu, Xiaomao Wu. (2023) Dissipation, residue and dietary risk assessment of difenoconazole in Rosa roxburghii. JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES, [PMID:37800694] [10.1080/03601234.2023.2263325] |
| 3. Enzhuang Pan, Huimiao Feng, Zuwang Yang, Yue Xin, Xiaomeng Ji, Kaixin Ping, Yong Sun, Jingquan Dong. (2023) Quercetin dietary supplementation protects against difenoconazole-induced carp spleen inflammatory damage via regulating ROS/NF-κB/NLRP3 inflammasome axis. AQUACULTURE, [PMID:] [10.1016/j.aquaculture.2023.740162] |
| 4. Guoyan Qin, Qi Zhang, Ziyao Zhang, Yiling Chen, Jichao Zhu, Yaohui Yang, W.J.G.M. Peijnenburg, Haifeng Qian. (2023) Understanding the ecological effects of the fungicide difenoconazole on soil and Enchytraeus crypticus gut microbiome. ENVIRONMENTAL POLLUTION, [PMID:36990340] [10.1016/j.envpol.2023.121518] |
| 5. Wenhui Li, Ying Gu, Zikun Liu, Rimao Hua, Xiangwei Wu, Jiaying Xue. (2022) Development of a polyurethane-coated thin film solid phase microextraction device for multi-residue monitoring of pesticides in fruit and tea beverages. JOURNAL OF SEPARATION SCIENCE, 46 (2): (2200661). [PMID:36373185] [10.1002/jssc.202200661] |
| 6. 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] |
| 7. Gui-Yang Zhu, Ying Chen, Su-Yan Wang, Xin-Chi Shi, Daniela D. Herrera-Balandrano, Victor Polo, Pedro Laborda. (2022) Peel Diffusion and Antifungal Efficacy of Different Fungicides in Pear Fruit: Structure-Diffusion-Activity Relationships. Journal of Fungi, 8 (5): (547). [PMID:35628802] [10.3390/jof8050547] |
| 8. Chun Yang, Lili Song, Zhong Miao, Lingyun Jiang, Ting Li, Xiaoyan Zhi, Xiaojuan Hao, Hui Cao. (2021) Discovery of novel obovatol-based phenazine analogs as potential antifungal agents: synthesis and biological evaluation in vitro. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, [PMID:] [10.1515/znb-2020-0158] |
| 9. Kaiqiang Wang, Da-Wen Sun, Hongbin Pu, Qingyi Wei. (2019) A rapid dual-channel readout approach for sensing carbendazim with 4-aminobenzenethiol-functionalized core–shell Au@Ag nanoparticles. ANALYST, 145 (5): (1801-1809). [PMID:31951224] [10.1039/C9AN02185J] |
| 10. Kaiqiang Wang, Da-Wen Sun, Hongbin Pu, Qingyi Wei. (2018) Surface-enhanced Raman scattering of core-shell Au@Ag nanoparticles aggregates for rapid detection of difenoconazole in grapes. TALANTA, [PMID:30262083] [10.1016/j.talanta.2018.08.005] |
| 11. Xu Guo, Dandan Yang, Yu Su, Yanhua Chen, Jie Ding, Lan Ding, Daqian Song. (2024) High selectivity molecularly imprinted polymer based on short amylose as bio-based functional monomers for selective extraction of λ-cyhalothrin. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38795883] [10.1016/j.ijbiomac.2024.132566] |
| 12. 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] |
| 13. Mingming Chen, Xiaojing Lai, Bihang Su, Xiancai Jiang, Jinhua Xu, Fengfu Fu, Zhenyu Lin, Yongqing Dong. (2024) Rapid detection of tebuconazole based on hydrogel SERS chips. TALANTA, [PMID:38795591] [10.1016/j.talanta.2024.126309] |
| 14. Chi Wu, Kai He, Huizhen Li, Lan Zhang, Liangang Mao, Lizhen Zhu, Jinhua Jiang, Xingang Liu. (2024) Transgenerational combined toxicity effects of neonicotinoids and triazole pesticides at environmentally relevant concentrations on D. magna: From individual to population level. JOURNAL OF HAZARDOUS MATERIALS, [PMID:39733747] [10.1016/j.jhazmat.2024.137023] |
| 15. 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] |
| 16. Zhangrui Luo, Jiaxing Yu, Jiaohong Li, Xiaomao Wu. (2026) Control of Neofusicoccum parvum-induced fruit rot in Rosa roxburghii using osthol: from laboratory efficacy to field application. PHYSIOLOGICAL AND MOLECULAR PLANT PATHOLOGY, [PMID:] [10.1016/j.pmpp.2026.103129] |
| 17. Huiru Xu, Yuqing Zong, Kehan Yin, Rimao Hua, Xiangwei Wu, Jiaying Xue. (2026) Semi-automatic silicon rubber based multi-vial microextraction for determination and removal of pesticides from waters and tea. JOURNAL OF CHROMATOGRAPHY A, [PMID:41689928] [10.1016/j.chroma.2026.466796] |
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