Monolinuron Solution in Methanol - 1000μg/mL in Methanol，Uncertainty 2% , CAS No.1746-81-2

CAS: 1746-81-2 Cat. No.: BWY396757 Formula: C₉H₁₁ClN₂O₂ Molecular Weight: 214.65 Beilstein Registry Number: 2212523 EC Number: 217-129-5

GRADE & PURITY 1000μg/mL in Methanol，Uncertainty 2%

Synonyms

3-(4-Chlorphenyl)-1-methoxy-1-methylharnstoff | BRN 2212523 | NCGC00255518-01 | Premalin | HOE 2747 | MONOLINURON [ISO] | A924734 | Arresin | 1-(4-chlorophenyl)-3-methoxy-3-methylurea | HOE 02747 | Urea, N'-(4-chlorophenyl)-N-methoxy-N-methyl- | 3-(4-Chlo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-(4-Chlorphenyl)-1-methoxy-1-methylharnstoff | BRN 2212523 | NCGC00255518-01 | Premalin | HOE 2747 | MONOLINURON [ISO] | A924734 | Arresin | 1-(4-chlorophenyl)-3-methoxy-3-methylurea | HOE 02747 | Urea, N'-(4-chlorophenyl)-N-methoxy-N-methyl- | 3-(4-Chlo

Specifications & Purity

1000μg/mL in Methanol，Uncertainty 2%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 528773630
• Canonical Smiles: CN(C(=O)NC1=CC=C(C=C1)Cl)OC
• IUPAC Name: 3-(4-chlorophenyl)-1-methoxy-1-methylurea
• InChIKey: LKJPSUCKSLORMF-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
• Isomeric SMILES: CN(C(=O)NC1=CC=C(C=C1)Cl)OC
• WGK Germany: 3
• RTECS: YS6425000
• UN Number: 3077
• Molecular Weight: 214.65
• Beilstein: 2212523
• Reaxy-Rn: 2212523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212523&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 Organic carbonic acids and derivatives 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 - 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)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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

Associated Targets(non-human)

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 100 °C
• Flash Point(°C): 100°C
• Melt Point(°C): 79-80°C
• Molecular Weight: 214.650 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.051 Da
• Monoisotopic Mass: 214.051 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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

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2. Linna Guo, Miao Tian, Zhi Li, Qianqian Wang, Qiuhua Wu, Lin Hao, Chun Wang.  (2023)  Preparation of hypercrosslinked porous polymer with manifold functional groups for sensitive determination of phenylurea herbicides in beverages and celtuce samples.  FOOD CHEMISTRY,      [PMID:37385066] [10.1016/j.foodchem.2023.136674]

3. 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]

4. 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]

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9. 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]

10. 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]

11. 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]

12. 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]

13. 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]

14. 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]

15. 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]

16. 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]

17. Wang Chun, Liu Li, Zhang Zhenhao, Wu Qiuhua, Wang Zhi.  (2015)  Magnetic Biomass Activated Carbon-Based Solid-Phase Extraction Coupled with High Performance Liquid Chromatography for the Determination of Phenylurea Herbicides in Bottled Rose Juice and Water Samples.  Food Analytical Methods,  9  (1): (80-87).  [PMID:] [10.1007/s12161-015-0181-z]

18. Sun Meng, Tang Ranxiao, Wu Qiuhua, Wang Chun, Wang Zhi.  (2013)  Graphene Reinforced Hollow Fiber Liquid Phase Microextraction for the Enrichment of some Phenylurea Residues in Milk Sample.  Food Analytical Methods,  7  (5): (1097-1102).  [PMID:] [10.1007/s12161-013-9719-0]

19. 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]

20. 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]

21. Ma Rong, Yu Shuangshuang, Li Yafang, Lin Yan, Ma Xiaodong.  (2024)  Enhancing the efficiency of polypyrrole-dodecylbenzene sulfonic acid in-tube solid-phase microextraction coating for analysis of nitrogen-containing pesticides in water environments.  Frontiers in Environmental Science,      [PMID:] [10.3389/fenvs.2024.1350170]

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. Zichen Zhao, Ruiyang Ma, Juntao Wang, Qing Zhang, Miao Jing, Chun Wang, Qiuhua Wu, Zhi Wang.  (2025)  Preparation of boric acid functionalized hyper-crosslinked polymer for efficient extraction of phenylurea herbicides from lake water, green tea drink and tomato samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40036914] [10.1016/j.chroma.2025.465823]

24. 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]