Linuron Solution in Methanol - 100μg/mL in Methanol，Uncertainty 3% , CAS No.330-55-2

CAS: 330-55-2 Cat. No.: BWY396054 Molecular Weight: 249.09 Beilstein Registry Number: 2128725 EC Number: 206-356-5

GRADE & PURITY 100μg/mL in Methanol，Uncertainty 3%

Synonyms

01XP1SU59O | Lorox Weed Killer | NCGC00258833-01 | Urea, 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl- | BIDD:ER0455 | Du Pont 326 | Aphalon | DTXCID604163 | Dupont herbicide 326 | LINURON [HSDB] | NCGC00160429-05 | Afalon inuron | Profalon | 1-(3,4-Dichloro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

01XP1SU59O | Lorox Weed Killer | NCGC00258833-01 | Urea, 3-(3, 4-dichlorophenyl)-1-methoxy-1-methyl- | BIDD:ER0455 | Du Pont 326 | Aphalon | DTXCID604163 | Dupont herbicide 326 | LINURON [HSDB] | NCGC00160429-05 | Afalon inuron | Profalon | 1-(3, 4-Dichloro

Specifications & Purity

100μg/mL in Methanol，Uncertainty 3%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
• IUPAC Name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
• InChIKey: XKJMBINCVNINCA-UHFFFAOYSA-N
• INCHI: 1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
• Isomeric SMILES: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
• WGK Germany: 3
• RTECS: YS9100000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 249.09
• Beilstein: 2128725
• Reaxy-Rn: 2128725
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2128725&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: Dichlorobenzenes 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 - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

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

Discover Target: THRB

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

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

Phaseolus vulgaris (518 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 93-94°C
• Molecular Weight: 249.090 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.012 Da
• Monoisotopic Mass: 248.012 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 228.000
• 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. Chun-Ying Xu, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2023)  Fabrication of magnetic Fe3O4 doped β-cyclodextrin microporous organic network for the efficient extraction of endocrine disrupting chemicals from food takeaway boxes.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38171066] [10.1016/j.chroma.2023.464625]

2. Xu-Hui Li, Yuan-Yuan Cui, Xun Wu, Abdukader Abdukayum, Cheng-Xiong Yang.  (2023)  Fabrication of zwitterionic magnetic microporous organic network for efficient extraction of fluoroquinolone antibiotics from meat samples.  FOOD CHEMISTRY,      [PMID:37459710] [10.1016/j.foodchem.2023.136808]

3. Hao-Fei Sun, Yuan-Yuan Cui, Chang-Qing Zhen, Cheng-Xiong Yang.  (2022)  Monomer-mediated fabrication of microporous organic network@silica microsphere for reversed-phase/hydrophilic interaction mixed-mode chromatography.  TALANTA,      [PMID:35932636] [10.1016/j.talanta.2022.123763]

4. Xin-Qiao He, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2021)  Thiol–Yne Click Postsynthesis of a Sulfonate Group-Enriched Magnetic Microporous Organic Network for Efficient Extraction of Benzimidazole Fungicides.  ACS Applied Materials & Interfaces,      [PMID:34374514] [10.1021/acsami.1c11148]

5. Xin-Qiao He, Yuan-Yuan Cui, Xiao-Hui Lin, Cheng-Xiong Yang.  (2021)  Fabrication of polyethyleneimine modified magnetic microporous organic network nanosphere for efficient enrichment of non-steroidal anti-inflammatory drugs from wastewater samples prior to HPLC-UV analysis.  TALANTA,      [PMID:34215105] [10.1016/j.talanta.2021.122471]

6. Jun-Hua Han, Yuan-Yuan Cui, Xin-Qiao He, Yan Zhang, Cheng-Xiong Yang.  (2021)  Fabrication of carboxyl functionalized microporous organic network coated stir bar for efficient extraction and analysis of phenylurea herbicides in food and water samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:33556684] [10.1016/j.chroma.2021.461947]

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. Hui-Ping Yu, Qian-Qian Xu, Xin Wang, Yuan-Yuan Cui, He-Fang Wang, Cheng-Xiong Yang.  (2024)  Fabrication of fluorinated magnetic microporous organic network for selective and efficient extraction of benzoylurea insecticides in tea beverages.  FOOD CHEMISTRY,      [PMID:39047468] [10.1016/j.foodchem.2024.140529]

9. 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]

10. 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]

11. Rui Shi, Yipeng Huang, Guihua Ruan, Zhengyi Chen, Yanqun Yang, Zhuqiang Wu.  (2024)  Controlled synthesis of sulfhydryl-dendritic mesoporous silica nanospheres for ultrafast extraction and sensitive analysis of organochlorine herbicides containing amide groups.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38484640] [10.1016/j.chroma.2024.464794]

12. Ting Wang, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2025)  Fabrication of microporous organic network incorporated monolithic column for improved high performance liquid chromatographic separation of small molecules.  ANALYTICA CHIMICA ACTA,      [PMID:40015778] [10.1016/j.aca.2025.343736]