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

Synonyms

1H-Isoindole-1,3(2H)-dione,2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro- | Flumioxazin [ISO] | SCHEMBL39699 | 1-(2-Methoxyphenyl)-3-(2-(pyridin-3-yl)quinazolin-4-yl)urea | 2-(7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-di

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1H-Isoindole-1, 3(2H)-dione, 2-[7-fluoro-3, 4-dihydro-3-oxo-4-(2-propynyl)-2H-1, 4-benzoxazin-6-yl]-4, 5, 6, 7-tetrahydro- | Flumioxazin [ISO] | SCHEMBL39699 | 1-(2-Methoxyphenyl)-3-(2-(pyridin-3-yl)quinazolin-4-yl)urea | 2-(7-fluoro-3-oxo-4-(prop-2-ynyl)-3, 4-di

Specifications & Purity

100μg/mL in Acetonitrile，Uncertainty 3%

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

• Canonical Smiles: C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F
• IUPAC Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
• InChIKey: FOUWCSDKDDHKQP-UHFFFAOYSA-N
• INCHI: 1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
• Isomeric SMILES: C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F
• WGK Germany: 3
• Molecular Weight: 354.33
• Reaxy-Rn: 8290535
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8290535&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines
      • Subclass Benzoxazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazines
• Subclass: Benzoxazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazinones
• Alternative Parents: Benzomorpholines Isoindolones Isoindoles Alkyl aryl ethers Maleimides Aryl fluorides Benzenoids N-substituted carboxylic acid imides Dicarboximides Pyrrolines Tertiary carboxylic acid amides Lactams Oxacyclic compounds Acetylides Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazinone - Isoindolone - Benzomorpholine - Isoindole or derivatives - Isoindole - Maleimide - Alkyl aryl ether - Benzenoid - Oxazinane - Carboxylic acid imide, n-substituted - Aryl fluoride - Aryl halide - Carboxylic acid imide - Dicarboximide - Tertiary carboxylic acid amide - Pyrroline - Carboxamide group - Lactam - Acetylide - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
• External Descriptors: benzoxazine

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(non-human)

Echinochloa crus-galli (3685 Activities)

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Amaranthus (163 Activities)

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Arachis hypogaea (20 Activities)

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Oryza sativa (2923 Activities)

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Zea mays (820 Activities)

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Glycine max (342 Activities)

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Setaria viridis (435 Activities)

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Triticum aestivum (1582 Activities)

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Abutilon theophrasti (831 Activities)

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Amaranthus retroflexus (1838 Activities)

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Chenopodium album (769 Activities)

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Digitaria sanguinalis (1594 Activities)

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Gossypium hirsutum (233 Activities)

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Phaseolus vulgaris (518 Activities)

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

Discover Target: Nfe2l2

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Protoporphyrinogen IX oxidase (35 Activities)

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PPXI Protoporphyrinogen oxidase, chloroplastic (33 Activities)

Discover Target: PPXI

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Brassica rapa subsp. oleifera (1696 Activities)

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Gossypium (36 Activities)

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Amaranthus blitum (48 Activities)

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Erigeron canadensis (118 Activities)

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Scenedesmus acutus (534 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 201-204°C
• Molecular Weight: 354.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 354.102 Da
• Monoisotopic Mass: 354.102 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 724.000
• 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. Yu-Han Sun, Liu Yang, Xian-Xian Ji, Yuan-Zhen Wang, Yu-Long Liu, Ying Fu, Fei Ye.  (2023)  Efficient detection of flusilazole by an electrochemical sensor derived from MOF MIL-53(Fe) for food safety.  FOOD CHEMISTRY,      [PMID:38142554] [10.1016/j.foodchem.2023.138244]

2. Ling Jia, Li-Xia Zhao, Fang Sun, Jie Peng, Jia-Yu Wang, Xin-Yu Leng, Shuang Gao, Ying Fu, Fei Ye.  (2022)  Diazabicyclo derivatives as safeners protect cotton from injury caused by flumioxazin.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:36127047] [10.1016/j.pestbp.2022.105185]

3. Wei-Chuang Kong, Chen-Chen Li, Ai-Hong Zhang, Xin-Long Li, Qian-Rui Gong, Bing-Tan Jin, Xiao-Juan Jia, Xu-Ying Liu, Yan-Fei Kang.  (2024)  A colorimetric-aptamer-based assay for the determination of enrofloxacin through triggering the aggregation of gold nanoparticles.  Analytical Methods,      [PMID:39311407] [10.1039/D4AY01259C]

4. Yuan-Zhen Wang, Liu Yang, Jia-Jia Kou, Yu-Qing Zhan, Yi-Lin Niu, Yu-Long Liu.  (2025)  High-temperature calcined Mn-MOF derivative for electrochemical detection of flumioxazin in environmental and food samples.  POLYHEDRON,      [PMID:] [10.1016/j.poly.2025.117525]

5. Xiaoqin Shen, Yinsheng Liu, Bing Yan.  (2025)  Constructing a three-in-one light-responsive covalent organic framework with enhanced performance through post-synthetic modification: Versatile fluorescence sensing, colorimetric detection, and adsorption of mesotrione.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168362]

6. Wei-Chuang Kong, Chen-Chen Li, Jun-Tao Niu, Xu-Ying Liu, Dong Wei, Yan-Fei Kang.  (2025)  A label-free aptasensor based on a fluorescent probe containing styrylbenzothiazole for detection of enrofloxacin.  Analytical Methods,      [PMID:40211802] [10.1039/D4AY02265C]