Monuron - analytical standard , CAS No.150-68-5

CAS: 150-68-5 Cat. No.: M114737 Molecular Weight: 198.65 Beilstein Registry Number: 2097922 EC Number: 205-766-1

GRADE & PURITY Analytical standard

Synonyms

1-(p-Chlorophenyl)-3,3-dimethylurea | 3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff | 3-para-Chlorophenyl-1,1-dimethylurea | UNII-I99GAK5X1D | 3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff [German] | Monuron Herbicide | Chlorea | Karmex W | Monuron 10 microg/mL i

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(p-Chlorophenyl)-3, 3-dimethylurea | 3-(4-Chlor-phenyl)-1, 1-dimethyl-harnstoff | 3-para-Chlorophenyl-1, 1-dimethylurea | UNII-I99GAK5X1D | 3-(4-Chlor-phenyl)-1, 1-dimethyl-harnstoff [German] | Monuron Herbicide | Chlorea | Karmex W | Monuron 10 microg/mL i

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CN(C)C(=O)NC1=CC=C(C=C1)Cl
• IUPAC Name: 3-(4-chlorophenyl)-1,1-dimethylurea
• InChIKey: BMLIZLVNXIYGCK-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
• Isomeric SMILES: CN(C)C(=O)NC1=CC=C(C=C1)Cl
• WGK Germany: 3
• RTECS: YS6300000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 198.65
• Beilstein: 2097922
• Reaxy-Rn: 2097922
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097922&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Chlorobenzenes Aryl chlorides Ureas Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Carbonic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

psbA Photosystem Q(B) protein (72 Activities)

Discover Target: psbA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, slightly soluble in methanol, ethanol, and acetone, easily soluble in halogenated hydrocarbons and hot ethanol.
• Melt Point(°C): 176-177°C
• Molecular Weight: 198.650 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.056 Da
• Monoisotopic Mass: 198.056 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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

References

1. YueYue Zhang, Jinjuan Wang, Ang Yu, Yuanfei Wu, Xiaojia Huang.  (2023)  Green fabrication of fly ash-based magnetic adsorbent under water medium for the simultaneous capture of phenylurea and sulfonylurea herbicides prior to chromatographic quantification.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109776]

2. Mingcai Ma, Xiaofeng Lu, Licheng Wang, Yong Guo, Hui Ding, Shuai Wang, Xiaojing Liang.  (2023)  A stable core-shell metal-organic framework@covalent organic framework composite as solid-phase extraction adsorbent for selective enrichment and determination of flavonoids.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37634259] [10.1016/j.chroma.2023.464324]

3. 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]

4. Jiangyi Wu, Siyu Luo, Xiaojia Huang.  (2022)  Fabrication of monolith-based electrodes for simultaneous solid-phase microextraction of phenylurea and sulfonylurea herbicides assisted by electric field.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140786]

5. Kaisheng Hong, Youfang Huang, Lingxin Zheng, Xinyi Zheng, Xiaojia Huang.  (2022)  One-pot fabrication of poly (ionic liquid)s functionalized magnetic adsorbent for efficient enrichment of phenylurea herbicides in environmental waters.  ANALYTICA CHIMICA ACTA,      [PMID:35190134] [10.1016/j.aca.2022.339549]

6. Feng Ji, Zhao Zhe, Li Jilong, Shan Zhenhua, Yang Yi, Wang Zhibing, Zhang Hanqi.  (2021)  Vortex-assisted dispersive liquid–liquid microextraction based on the solidification of sedimentary deep eutectic solvents for the determination of triazine and phenylurea herbicides in milk samples.  Analytical Methods,  14  (4): (460-468).  [PMID:35023520] [10.1039/D1AY01788H]

7. 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]

8. 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]

9. 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]

10. Liu Yaqing, Lin Xiaodong, Ji Xiangyi, Hao Zhe, Tao Zhanhui.  (2020)  Smartphone-based enzyme-free fluorescence sensing of organophosphate DDVP.  MICROCHIMICA ACTA,  187  (7): (1-8).  [PMID:32613298] [10.1007/s00604-020-04384-7]

11. Wang Qianqian, Li Gaigai, Wang Chun, Wu Qiuhua, Wang Zhi.  (2020)  Layered porous organic frameworks as a novel adsorbent for the solid phase extraction of chlorophenols prior to their determination by HPLC-DAD.  MICROCHIMICA ACTA,  187  (4): (1-11).  [PMID:32152748] [10.1007/s00604-020-4195-x]

12. Tong Yao, Liu Xueyan, Zhang Lei.  (2019)  One-pot fabrication of magnetic porous Fe3C/MnO/graphitic carbon microspheres for dispersive solid-phase extraction of herbicides prior to their quantification by HPLC.  MICROCHIMICA ACTA,  186  (4): (1-9).  [PMID:30904959] [10.1007/s00604-019-3358-0]

13. 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]

14. Yao Wang, Ruobai Xiao, Ershun Yang, Qiuhua Wu, Chun Wang, Zhi Wang.  (2018)  Phthalocyanine-containing polymer derived porous carbon as a solid-phase extraction adsorbent for the enrichment of phenylurea herbicides from water and vegetable samples.  Separation Science Plus,  1  (5): (359-366).  [PMID:] [10.1002/sscp.201700029]

15. Xinyu Liang, Juntao Wang, Qiuhua Wu, Chun Wang, Zhi Wang.  (2018)  Use of a hypercrosslinked triphenylamine polymer as an efficient adsorbent for the enrichment of phenylurea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29397984] [10.1016/j.chroma.2018.01.033]

16. Wang Juntao, Jiao Caina, Li Menghua, Wang Xiaolan, Wang Chun, Wu Qiuhua, Wang Zhi.  (2017)  Porphyrin based porous organic polymer modified with Fe3O4 nanoparticles as an efficient adsorbent for the enrichment of benzoylurea insecticides.  MICROCHIMICA ACTA,  185  (1): (1-8).  [PMID:29594549] [10.1007/s00604-017-2542-3]

17. Song Yuhong, Ma Ruiyang, Jiao Caina, Hao Lin, Wang Chun, Wu Qiuhua, Wang Zhi.  (2017)  Magnetic mesoporous polymelamine-formaldehyde resin as an adsorbent for endocrine disrupting chemicals.  MICROCHIMICA ACTA,  185  (1): (1-8).  [PMID:29594534] [10.1007/s00604-017-2593-5]

18. 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]

19. 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]

20. 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]

21. Hua Wang, Lin Hao, Yaxing Guo, Chun Wang, Qiuhua Wu, Zhi Wang.  (2024)  Construction of magnetic recoverable porous electron-rich organic frameworks for efficiently enrichment of phenylurea herbicides from water and milk samples prior to HPLC detection.  FOOD CHEMISTRY,      [PMID:39178545] [10.1016/j.foodchem.2024.140812]

22. Xiaoxia Zhang, Jinchang Liu, Han Zhang, Qinming Zhang, Jiwei Shen, Yinmao Wei, Chaozhan Wang.  (2024)  Facile construction of a stable core-shell spherically magnetic polyimide covalent organic framework for efficient extraction of phenylurea herbicides.  TALANTA,      [PMID:38703485] [10.1016/j.talanta.2024.126184]

23. Guangping Xia, Yipeng Huang, Shi Yu, Bingmei Lai, Zhenyu Li, Guihua Ruan.  (2024)  Facile synthesis of uniform, spherical, nitrogen- and sulfur-rich covalent organic frameworks for efficient extraction of herbicides containing chlorophenyl and acylamino groups.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.110259]

24. Mingwei Wang, Yanan Yuan, Yehong Han, Fengxia Qiao, Jinliang Li, Hongyuan Yan.  (2024)  Two-dimensional hydrophilic imprinted resin–graphene oxide composite for selective extraction and rapid determination of gibberellin traces in licorice samples.  FOOD CHEMISTRY,      [PMID:38733687] [10.1016/j.foodchem.2024.139553]

25. Yaxing Guo, Ruiyang Ma, Weihua Liu, Lin Hao, Qiuhua Wu, Zhi Wang.  (2020)  Facile synthesis of conjugated microporous polymer with spherical structure for solid phase extraction of phenyl urea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32381301] [10.1016/j.chroma.2020.461131]