Flufenoxuron - analytical standard,Moligand™ , CAS No.101463-69-8

CAS: 101463-69-8 Cat. No.: F109949 Formule: C₂₁H₁₁ClF₆N₂O₃ Poids moléculaire: 488.77 Beilstein Registry Number: 8398323 Numéro CE: 417-680-3

QUALITÉ & PURETÉ Analytical standard, Moligand™

Synonyms

N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide|Flufenoxuron|Flufenoxuron [ISO]|FLUFENOXURON [MI]|N-(4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenylcarbamoyl)-2,6-difluorobenzamide|1-[4-(5-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluo|2-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|Benzamide, N-(((4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)amino)carbonyl)-2,6-difluoro-|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-|1-(4-(2-Cloro-alpha,alpha,alpha-P-trifluorotolyloxy)-2-fluorophenyl)-3-(2,6-difluorobenzolyl)urea|N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroanilino]-oxomethyl]-2,6-difluorobenzamide|Cascade|Tricyclo[3.3.1.13,7]decan-1-ol, 4-amino-, hydrochloride (1:1)|1-(4-(2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYLOXY)-2-FLUOROPHENYL)-3-(2,6-DIFLUOROBENZOYL)UREA|Cascade;WL 115110|N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide|1-[4-(2-chloro-4-trifluoromethylphenoxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|WL 115110|4-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid|DPX EY-059|N-[[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-fluoranyl-phenyl]carbamoyl]-2,6-bis(fluoranyl)benzamide

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Vue d’ensemble

Flufenoxuron is an acylurea compound mostly used as an insecticide. It inhibits chitin synthesis in pests making it a slow acting growth regulator.

Spécifications

Synonymes

N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide | Flufenoxuron | Flufenoxuron [ISO] | FLUFENOXURON [MI] | N-(4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenylcarbamoyl)-2,6-difluorobenzamide | 1-[4-(5-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea Afficher plus

Spécifications et pureté

analytical standard,Moligand™

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse, Moligand™

Noms et identifiants

Pubchem Sid

528772442

Sourires canoniques

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F

IUPAC Name

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide

InChIKey

RYLHNOVXKPXDIP-UHFFFAOYSA-N

INCHI

1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)

Isomères SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F

WGK Allemagne

2

RTECS

CV2474500

Poids moléculaire

488.77

Beilstein

8398323

Reaxy-Rn

8398323

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8398323&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: Diphenylethers Diarylethers Trifluoromethylbenzenes 2-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers 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 Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzoyl-n'-phenylurea - Diphenylether - Diaryl ether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Ether - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: 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

Cibles associées (non humaines)

Plutella xylostella (1838 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 169-172°C
• Poids moléculaire: 488.800 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 488.036 Da
• Monoisotopic Mass: 488.036 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 689.000
• 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