Metoxuron(SAN 6602) - analytical standard,Moligand™ , CAS No.19937-59-8

CAS: 19937-59-8 Cat. No.: M114648 Formula: C₁₀H₁₃ClN₂O₂ Peso molecolare: 228.68 Beilstein Registry Number: 2128284 Numero EC: 243-433-2

GRADE & PURITY Analytical standard, Moligand™

Synonyms

Dosanex | Purivel | SAN 6602 | SAN 7102

Storage

Room temperature

Shipped In

Normal

Panoramica

Soluble in acetone, cyclohexanone, and hot ethanol, insoluble in petroleum ether.

Metoxuron (Dosanex) is a phenylurea herbicide that is effective against and controls annual grasses and broadleaf weeds in wheat, barley, and carrot crops.

Specifications

Sinonimi

Dosanex | Purivel | SAN 6602 | SAN 7102

Specifiche e purezza

analytical standard,Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Moligand™, Standard analitico

Nomi e identificatori

• Pubchem Sid: 528773518
• Sorrisi canonici: CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
• IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
• InChIKey: DSRNRYQBBJQVCW-UHFFFAOYSA-N
• INCHI: 1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
• Isomeri SMILES: CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
• WGK Germania: 2
• RTECS: YS5775000
• Numero UN: 3077
• Peso molecolare: 228.68
• Beilstein: 2128284
• Reaxy-Rn: 2128284
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2128284&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Ureas Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Carbonic acid derivative - Urea - Ether - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Phenylurea 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 124-127°C
• Peso molecolare: 228.670 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.067 Da
• Monoisotopic Mass: 228.067 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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

Riferimenti

1. Chun Wang, Qianqian Wang, Jintao Yu, Xinmeng Wang, Lijuan Wang, Bin Zhao, Lin Hao, Weihua Liu, Zhi Wang, Hao Chen, Qiuhua Wu.  (2023)  Converting waste expanded polystyrene into higher-value-added hyper-crosslinked porous polymer for rapid and high-efficient adsorption of aflatoxins.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.137102]

2. Weihua Liu, Juntao Wang, Shuangju Song, Lin Hao, Jiajia Liu, Yangjuan An, Yaxing Guo, Qiuhua Wu, Chun Wang, Zhi Wang.  (2021)  Facile synthesis of uniform spherical covalent organic frameworks for determination of neonicotinoid insecticides.  FOOD CHEMISTRY,      [PMID:34343809] [10.1016/j.foodchem.2021.130653]

3. Mingming Xu, Yangjuan An, Qianqian Wang, Junmin Wang, Lin Hao, Chun Wang, Zhi Wang, Junhong Zhou, Qiuhua Wu.  (2021)  Construction of hydroxyl functionalized magnetic porous organic framework for the effective detection of organic micropollutants in water, drink and cucumber samples.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33951875] [10.1016/j.jhazmat.2021.125307]

4. Qiuhua Wu, Yuhong Song, Qianqian Wang, Weihua Liu, Lin Hao, Zhi Wang, Chun Wang.  (2020)  Combination of magnetic solid-phase extraction and HPLC-UV for simultaneous determination of four phthalate esters in plastic bottled juice.  FOOD CHEMISTRY,      [PMID:32858384] [10.1016/j.foodchem.2020.127855]

5. Gao Tian, Wang Junmin, Hao Lin, Yang Xiumin, Wang Chun, Wu Qiuhua, Wang Zhi.  (2018)  A magnetic knitting aromatic polymer as a new sorbent for use in solid-phase extraction of organics.  MICROCHIMICA ACTA,  185  (12): (1-9).  [PMID:30460410] [10.1007/s00604-018-3085-y]

6. Juntao Wang, Menghua Li, Caina Jiao, Yuhong Song, Chun Wang, Qiuhua Wu, Zhi Wang.  (2017)  Preparation of a magnetic porous organic polymer for the efficient extraction of phenylurea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28888678] [10.1016/j.chroma.2017.09.001]

7. Juanjuan Wu, Ruiyang Ma, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang.  (2017)  Triphenylamine-based hypercrosslinked organic polymer as adsorbent for the extraction of phenylurea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28903856] [10.1016/j.chroma.2017.09.012]

8. Menghua Li, Juntao Wang, Caina Jiao, Chun Wang, Qiuhua Wu, Zhi Wang.  (2016)  Graphene oxide framework: An adsorbent for solid phase extraction of phenylurea herbicides from water and celery samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27693016] [10.1016/j.chroma.2016.09.056]

9. Chenhuan Wang, Qianqian Wang, Kaiyuan Si.  (2025)  Construction of carboxyl-functionalized hyper-cross-linked porous polymers using waste polystyrene for effective adsorption of phenolic contaminants.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40179671] [10.1016/j.chroma.2025.465925]