Triflumuron solution in Methanol - 1000μg/mL in Methanol，Uncertainty 2％ , CAS No.64628-44-0

CAS: 64628-44-0 Cat. No.: BWY396494 Formule: C₁₅H₁₀ClF₃N₂O₃ Poids moléculaire: 358.7 Beilstein Registry Number: 2776684 Numéro CE: 264-980-3

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

Synonyms

Triflumuron|64628-44-0|Trifluron|Triflumuron [ISO]|SIR 8514|2-Chloro-N-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)benzamide|Alsystin|3FT64DYG8K|1-(o-chlorobenzoyl)-3-(p-(trifluoromethoxy)phenyl)urea|2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benz

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Triflumuron | 64628-44-0 | Trifluron | Triflumuron [ISO] | SIR 8514 | 2-Chloro-N-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)benzamide | Alsystin | 3FT64DYG8K | 1-(o-chlorobenzoyl)-3-(p-(trifluoromethoxy)phenyl)urea | 2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benz

Spécifications et pureté

1000μg/mL in Methanol，Uncertainty 2％

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Noms et identifiants

Pubchem Sid

528773614

Sourires canoniques

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

IUPAC Name

2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide

InChIKey

XAIPTRIXGHTTNT-UHFFFAOYSA-N

INCHI

1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)

Isomères SMILES

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

WGK Allemagne

2

RTECS

CV2474000

Poids moléculaire

358.7

Beilstein

2776684

Reaxy-Rn

2776684

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2776684&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 Phenoxy compounds Phenol ethers Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Ureas Trihalomethanes Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides 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 - Phenoxy compound - Benzoyl - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Trihalomethane - Urea - Carbonic acid derivative - Carboxylic acid derivative - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Carbonyl group - 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 (humaines)

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

Cibles associées (non humaines)

Plutella xylostella (1838 Activities)

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Spodoptera exigua (540 Activities)

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Spodoptera litura (1708 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 358.700 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 358.033 Da
• Monoisotopic Mass: 358.033 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 454.000
• 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