Chlorimuron ethyl - analytical standard , CAS No.90982-32-4

CAS: 90982-32-4 Cat. No.: C109992 Peso molecular: 414.82 Número EC: 618-690-2

GRADE & PURITY Analytical standard

Synonyms

Benzoic acid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, ethyl ester | HY-W040262 | NSWAMPCUPHPTTC-UHFFFAOYSA-N | AC-18022 | Chlorimuron ethyl ester | B00AW0IM5Q | ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzoic acid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, ethyl ester | HY-W040262 | NSWAMPCUPHPTTC-UHFFFAOYSA-N | AC-18022 | Chlorimuron ethyl ester | B00AW0IM5Q | ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Pubchem Sid: 528772713
• Sonrisas canónicas: CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
• IUPAC Name: ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
• InChIKey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
• INCHI: 1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
• Isómeros SMILES: CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
• RTECS: DG5095000
• Peso molecular: 414.82
• Reaxy-Rn: 7448363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7448363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Sulfonylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidinyl-2-sulfonylureas
• Alternative Parents: Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Alkyl aryl ethers Halopyrimidines Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Organic carbonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Alkyl aryl ether - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position.
• External Descriptors: Sulfonylurea herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

ALS Acetolactate synthase (354 Activities)

Discover Target: ALS

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Echinochloa crus-galli (3685 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Candida albicans (78123 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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ILV2 Acetolactate synthase catalytic subunit, mitochondrial (10 Activities)

Discover Target: ILV2

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Trifolium repens (19 Activities)

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Dactylis glomerata (15 Activities)

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Cyperus iria (145 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 186°C
• Peso molecular: 414.800 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 414.04 Da
• Monoisotopic Mass: 414.04 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 628.000
• 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

Referencias

1. 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]

2. Qingyun Ma, Xiaoyan Han, Jinlong Song, Jie Wang, Qingqing Li, Rebecca E. Parales, Lin Li, Zhiyong Ruan.  (2022)  Characterization of a new chlorimuron-ethyl-degrading strain Cedecea sp. LAM2020 and biodegradation pathway revealed by multiomics analysis.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36272371] [10.1016/j.jhazmat.2022.130197]

3. Li Miaomiao, Li Qingqing, Yao Jun, Sunahara Geoffrey, Duran Robert, Zhang Qinghua, Ruan Zhiyong.  (2022)  Transcriptomic response of Pseudomonas nicosulfuronedens LAM1902 to the sulfonylurea herbicide nicosulfuron.  Scientific Reports,  12  (1): (1-13).  [PMID:35953636] [10.1038/s41598-022-17982-7]

4. Xiaoli Guo, Tingze Ren, Jianchun Ji, Yan Yang, Xin Di.  (2022)  An alternative analytical strategy based on QuEChERS and dissolvable layered double hydroxide dispersive micro-solid phase extraction for trace determination of sulfonylurea herbicides in wolfberry by LC–MS/MS.  FOOD CHEMISTRY,      [PMID:35841677] [10.1016/j.foodchem.2022.133652]

5. Liang Ting, Gao Lei, Qin Dongli, Chen Ligang.  (2019)  Determination of Sulfonylurea Herbicides in Grain Samples by Matrix Solid-Phase Dispersion with Mesoporous Structured Molecularly Imprinted Polymer.  Food Analytical Methods,  12  (9): (1938-1948).  [PMID:] [10.1007/s12161-019-01539-y]

6. Lu Qianqian, Xu Xinxin, Qu Aihua, Liu Liqiang, Li Yuzhe, Sun Maozhong, Xu Chuanlai, Kuang Hua.  (2024)  A multi-colloidal gold immunochromatography assay for rapid and simultaneous detection of 13 herbicides.  Nano Research,      [PMID:] [10.1007/s12274-024-6858-0]

7. Xiang Li, Yumeng Dai, Xinyu Guan, Zhiyang Han, Xu Li, Xiujuan Wang, Zhencheng Su, Huiwen Zhang, Mingkai Xu.  (2025)  Taxonomic structure and functional assembly of the broad-spectrum sulfonylurea herbicide-degrading microbial consortium L1 under different herbicide substrates.  Environmental Technology & Innovation,      [PMID:] [10.1016/j.eti.2025.104446]

8. Lu Zeng, Huan Lv, Xiangrui Li, Wenjia Yang, Wencan Luo, Linghong Kong, Qiujin Zhu.  (2025)  Colloidal gold-based lateral flow immunoassay for detecting cyclosulfamuron residues in cereal samples.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.106761]