Chlorosulfuron - analytical standard, ≥98% , CAS No.64902-72-3

CAS: 64902-72-3 Cat. No.: C109991 Peso molecular: 357.77 Beilstein Registry Number: 577255 Número EC: 265-268-5

GRADE & PURITY Analytical standard, ≥98%

Synonyms

HMS3741I09 | NCGC00164267-01 | Tuligen | Tox21_200255 | Chlorosulfuron, PESTANAL(R), analytical standard | NCGC00164267-04 | 2-Chloro-N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)benzenesulfonamide | Glean 20DF | HY-119737 | Caswell No. 194AA | EPA

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HMS3741I09 | NCGC00164267-01 | Tuligen | Tox21_200255 | Chlorosulfuron, PESTANAL(R), analytical standard | NCGC00164267-04 | 2-Chloro-N-((4-methoxy-6-methyl-1, 3, 5-triazin-2-yl)carbamoyl)benzenesulfonamide | Glean 20DF | HY-119737 | Caswell No. 194AA | EPA

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
• IUPAC Name: 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
• InChIKey: VJYIFXVZLXQVHO-UHFFFAOYSA-N
• INCHI: 1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)
• Isómeros SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
• WGK Alemania: 2
• RTECS: YS6640000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 357.77
• Beilstein: 577255
• Reaxy-Rn: 577255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=577255&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: S-triazinyl-2-sulfonylureas
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds 2-methoxy-1,3,5-triazines Alkyl aryl ethers Aminotriazines Chlorobenzenes Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: S-triazinyl-2-sulfonylurea - Benzenesulfonamide - Benzenesulfonyl group - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbonic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as s-triazinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a s-triazine ring which is substituted with a urea 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 (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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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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Pisum sativum (62 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Candida albicans (78123 Activities)

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Trypanosoma cruzi (99888 Activities)

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L6 (7924 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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ILV2 Acetolactate synthase catalytic subunit, mitochondrial (10 Activities)

Discover Target: ILV2

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Brassica rapa subsp. oleifera (1696 Activities)

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Raphanus raphanistrum (44 Activities)

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Bifora radians (15 Activities)

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Lolium rigidum (323 Activities)

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Leaf (16 Activities)

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Root (39 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 357.770 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 357.03 Da
• Monoisotopic Mass: 357.03 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 514.000
• 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. Jilong Li, Weili Xu, Xiujuan Wang, Fengze Wu, Lin Wang, Ji Feng, Zhibing Wang, Hanqi Zhang.  (2022)  Ionic liquid-based dispersive liquid–liquid microextraction followed by dispersive solid phase extraction coupled with HPLC-DAD for the determination of sulfonylurea herbicides in soymilk samples.  JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,      [PMID:] [10.1080/10826076.2022.2058960]

3. Chen Shuqin, Huang Mengna, Huang Mianli, Feng Liang.  (2021)  Fluorometric determination of ziram using CsPbBr3 quantum dots.  MICROCHIMICA ACTA,  188  (11): (1-9).  [PMID:34677687] [10.1007/s00604-021-05045-z]

4. 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]

5. Shan Zhou, Jinlong Song, Weiwei Dong, Yingchun Mu, Qi Zhang, Ziwen Fan, Yanwei Wang, Delong Kong, Yiqing Zhou, Xu Jiang, Bin Zhao, Gang Han, Zhiyong Ruan.  (2017)  Nicosulfuron Biodegradation by a Novel Cold-Adapted Strain Oceanisphaera psychrotolerans LAM-WHM-ZC.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:29111703] [10.1021/acs.jafc.7b04022]

6. Xiaoxiao You, Ligang Chen.  (2015)  Analysis of sulfonylurea herbicides in grain samples using molecularly imprinted polymers on the surface of magnetic carbon nanotubes by extraction coupled with HPLC.  Analytical Methods,  8  (5): (1003-1012).  [PMID:] [10.1039/C5AY02759D]

7. 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]

8. Yufei Dai, Xianli Song, Jing Zhao, Limin Wang, Xiaoru Cui, Li Lu, Jingyu Zhang, Haoyu Zhang, Dahai Zhang, Keqiang Li.  (2025)  Spatiotemporal distribution and potential ecological risks of current-use pesticides (CUPs) in Laizhou Bay, China.  MARINE ENVIRONMENTAL RESEARCH,      [PMID:40031394] [10.1016/j.marenvres.2025.107042]

9. 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]