Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard, ≥99.5% Standard analitico 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 508813955 |
|---|---|
| Sorrisi canonici | CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| IUPAC Name | 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide |
| InChIKey | BGZZWXTVIYUUEY-UHFFFAOYSA-N |
| INCHI | 1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22) |
| Isomeri SMILES | CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| WGK Germania | 1 |
| RTECS | CV2475000 |
| Peso molecolare | 438.76 |
| Beilstein | 8165046 |
| Reaxy-Rn | 8165046 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8165046&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic zwitterions Organic oxides Alkyl fluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Trifluoromethylbenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic zwitterion - Organofluoride - Organochloride - Organonitrogen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic homomonocyclic compound |
| Descrizione | 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 | Amide herbicides |
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| Peso molecolare | 438.800 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 437.99 Da |
| Monoisotopic Mass | 437.99 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 693.000 |
| 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. Ning Yue, Jiangjiexing Wu, Wei Qi, Rongxin Su. (2023) Algae-derived biochar nanozyme array for discrimination and detection of multiple pesticides in soil, water and food. FOOD CHEMISTRY, [PMID:37976876] [10.1016/j.foodchem.2023.137946] |
| 2. Guoqiang Zhao, Jing Zhou, Yanning Tian, Qifeng Chen, Dongmei Mao, Jianchun Zhu, Xing Huang. (2023) Remediation of fomesafen contaminated soil by Bacillus sp. Za: Degradation pathway, community structure and bioenhanced remediation. ENVIRONMENTAL POLLUTION, [PMID:37634569] [10.1016/j.envpol.2023.122460] |
| 3. Xue Dong, Leng Wang, Ruirui Feng, Zhaoyang Ren, Li Zhang, Huizhe Lu. (2019) Insights into the binding mechanism of a model protein with fomesafen: Spectroscopic studies, thermodynamics and molecular modeling exploration. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2019.05.128] |
| 4. Yanfang Zhao, Lubin Xu. (2018) Dispersive solid-phase extraction based on mesoporous melamine-formaldehyde polymer for sensitive determination of five chlorinated herbicides residues in water by high-performance liquid chromatography. INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY, [PMID:] [10.1080/03067319.2018.1548618] |
| 5. Ma Rong, Yu Shuangshuang, Li Yafang, Lin Yan, Ma Xiaodong. (2024) Enhancing the efficiency of polypyrrole-dodecylbenzene sulfonic acid in-tube solid-phase microextraction coating for analysis of nitrogen-containing pesticides in water environments. Frontiers in Environmental Science, [PMID:] [10.3389/fenvs.2024.1350170] |
| 6. Zhimin Liu, Weijun Wang, Yibo Geng, Yuting Zhang, Xuan Gao, Junfeng Xu, Xiaolu Liu. (2024) Integrating automated machine learning and metabolic reprogramming for the identification of microplastic in soil: A case study on soybean. JOURNAL OF HAZARDOUS MATERIALS, [PMID:39186842] [10.1016/j.jhazmat.2024.135555] |
| 7. Ning Yue, Yifan Lai, Jiangjiexing Wu, Qiaochu Zhang, Wei Qi, Rongxin Su. (2024) Optimization of metal–organic framework nanozyme activity via histidine modification for simultaneous pesticide detection. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.152630] |
| 8. Jiale Lin, Cai Shen, Yongfa Cheng, Oi-Ming Lai, Chin-Ping Tan, Worawan Panpipat, Ling-Zhi Cheong. (2024) Thermo-Switchable Enzyme@Metal–Organic Framework for Selective Biocatalysis and Biosensing. ACS Applied Materials & Interfaces, [PMID:39052986] [10.1021/acsami.4c05208] |
| 9. Kuo Liu, Yulin Wu, Lining Zheng, Xian Wu, Hao Zhang. (2025) Regulatory mechanism of Acidovorax temperans LK1 on the combined pollution of fomesafen and lead. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2025.118583] |
| 10. Yifan Lai, Xuejiao J. Gao, Zhenxiang Li, Yuxin Wan, Ning Yue, Weili Zhang, Xin Zhao, Rongxin Su, Xing Lu, Jiangjiexing Wu. (2026) Engineering the Activity-Selectivity Balance in Biomimetic MOF Nanozymes via Amino Acid-Induced Pore Confinement. ADVANCED FUNCTIONAL MATERIALS, [PMID:] [10.1002/adfm.77029] |
| 11. Xuehui Chen, Xianzhao Zhang, Fengmao Liu, Yufei Dong. (2026) Degradation of fomesafen in water by sodium persulfate activated with hydrochar optimized using deep eutectic solvent. Sustainable Chemistry and Pharmacy, [PMID:] [10.1016/j.scp.2026.102492] |
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