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Chlorosulfuron - analytical standard,98%, high purity , CAS No.64902-72-3
Basic Description
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
Specifications & Purity
analytical standard, ≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
INCHI
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)
InChIKey
VJYIFXVZLXQVHO-UHFFFAOYSA-N
Smiles
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
Isomeric SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
WGK Germany
2
RTECS
YS6640000
UN Number
3077
Packing Group
III
Molecular Weight
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=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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
Citations of This Product
1.
Jianan Liu, Jinjin Cheng, Chunli Zhou, Liya Ma, Xiaolong Chen, Yong Li, Xing Sun, Xiaolong Yan, Renhua Geng, Qun Wan, Xiangyang Yu.
(2023)
Uptake kinetics and subcellular distribution of three classes of typical pesticides in rice plants.
SCIENCE OF THE TOTAL ENVIRONMENT,
858
(159826).
2.
Jilong Li, Weili Xu, Xiujuan Wang, Fengze Wu, Lin Wang, Ji Feng, Zhibing Wang, Hanqi Zhang.
(2021)
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,
44
(13-14):
(663-673).
3.
Chen Shuqin, Huang Mengna, Huang Mianli, Feng Liang.
(2021)
Fluorometric determination of ziram using CsPbBr3 quantum dots.
MICROCHIMICA ACTA,
188
(11):
(1-9).
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).
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,
65
(47):
(10243–10249).
6.
Xiaoxiao You, Ligang Chen.
(2016)
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).
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,
(1-9).
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,
206
(107042).
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