Diflubenzuron - ≥97% , CAS No.35367-38-5

CAS: 35367-38-5 Cat. No.: D140774 Fórmula: C₁₄H₉ClF₂N₂O₂ Peso molecular: 310.68 Beilstein Registry Number: 2162461 Número CE: 252-529-3

GRAU & PUREZA ≥97%

Synonyms

Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Cambridge id 5259978|Diflubenzuron;N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-di-fluorobenzamide;1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea;Difluron;Dimilin|DIFLUBENZURON [MART.]|PDD 6040I|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Diflubenzuron [ANSI:BSI:ISO]|Benzamide, N-(((4-chlorophenyl)amino)carbonyl)-2,6-difluoro-|1-(p-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-Chlorophenyl)-3-(2,6-difluorobenzoyl)-Urea|N-[(4-chloroanilino)-oxomethyl]-2,6-difluorobenzamide|N-(4-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|Dimilin ODC-45|Thompson-hayward TH6040|Urea, 1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)-|3-(4-chlorophenyl)-1-[(2,6-difluorophenyl)carbonyl]urea|Philips-duphar PH 60-40|Difubenzuron|DIFLUBENZURON|Astonex|Difluron|N-(4-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea #|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide, 9CI|Larvakil|Dimilin WP-25|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|Duphacid|N-((4-Chlorophenyl)carbamoyl)-2,6-difluorobenzamide|TH 6040|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea (diflubenzuron)|N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide|IFLUBENZURON|N-[[(4-Chlorophenyl)amno]carbonyl]-2,6-difluorobenzamide|Thompson-Hayward 6040|DIFLUBENZURON [HSDB]|DIFLUBENZURON [JAN]|DIFLUBENZURON [MI]|Thompson Hayward 6040|1-(4-chlorophenyl)-3-[(2,6-difluorophenyl)carbonyl]urea|Dimilin|Dioflubenzuron|N-(((4-Chlorophenyl)amino)carbonyl)-2,6-difluorobenzamide|1-(4-Chlorophenyl)-3-(2,6-difluorobenzyl)urea|n-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|Dimilin G4

Storage

Room temperature

Shipped In

Normal

Visão geral

Diflubenzuron is a benzoyl-urea insecticide, found to be a potent inhibitor of melanosome synthesis in mouse melanoma cells. Diflubenzuron has also been shown to inhibit TCDD-induced CYP1A1 expression in HepG2 cells.
An inhibitor of TCDD-induced CYP1a1 expression in HepG2 cells.

Especificações

Sinónimos

Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro- | N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide | Cambridge id 5259978 | Diflubenzuron;N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-di-fluorobenzamide;1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea;Difluron;Dimilin | DIFLUBENZURON [MART.] | PDD 6040I | 1-(4-Chlorophenyl)- Show more

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504753557

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753557

Sorrisos canónicos

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F

IUPAC Name

N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide

InChIKey

QQQYTWIFVNKMRW-UHFFFAOYSA-N

INCHI

1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

SMILES isoméricas

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F

WGK Alemanha

2

RTECS

YS6200000

Número UN

3077

Grupo de embalagem

III

Peso molecular

310.68

Beilstein

2162461

Reaxy-Rn

2162461

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2162461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas
        • Level5 N-acyl-phenylureas
          • Level6 N-benzoyl-N'-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: N-acyl-phenylureas
• Direct Parent: N-benzoyl-N'-phenylureas
• Alternative Parents: 2-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Ureas Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzoyl-n'-phenylurea - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-benzoyl-n'-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.
• External Descriptors: Pesticides

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

Alvos associados (humanos)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

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CCRF-CEM (65223 Activities)

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Alvos associados (não humanos)

Plutella xylostella (1838 Activities)

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Spodoptera litura (1708 Activities)

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

Discover Target: Nfe2l2

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Chilo suppressalis (440 Activities)

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Culex pipiens pallens (759 Activities)

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Mythimna separata (3306 Activities)

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Cacopsylla melanoneura (60 Activities)

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Daphnia magna (43 Activities)

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Spilarctia obliqua (13 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol, DMSO, acetone (6.5 mg/ml at 20 °C), and ethanol. Insoluble in water.
• Ponto de fusão (°C): 230-232°C
• Peso molecular: 310.680 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 310.032 Da
• Monoisotopic Mass: 310.032 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 379.000
• 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