Trifloxystrobin - analytical standard , CAS No.141517-21-7

CAS: 141517-21-7 Cat. No.: T129128 Summenformel: C₂₀H₁₉F₃N₂O₄ Molekulargewicht: 408.37 EG-Nummer: 604-237-6 PubChem CID: 11664966

QUALITÄT & REINHEIT Analytical standard

Synonyms

methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate | methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate | NCGC00163847-01 | Benzeneacetic ac

Storage

Room temperature

Shipped In

Normal

Übersicht

Trifloxystrobin is a broad spectrum fungicide that inhibits fungal spore germination.
A strobilurin class fungicide.

Spezifikationen

Synonyme

methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate | methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate | NCGC00163847-01 | Benzeneacetic ac

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Kanonisches Lächeln

CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F

IUPAC Name

methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate

InChIKey

ONCZDRURRATYFI-TVJDWZFNSA-N

INCHI

1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+

Isomere SMILES

C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F

WGK Deutschland

2

PubChem CID

11664966

Molekulargewicht

408.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: Strobilurin fungicides

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

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Cercospora beticola (433 Activities)

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Blumeria graminis (462 Activities)

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Botrytis cinerea (4183 Activities)

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Pyricularia oryzae (1832 Activities)

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Solanum lycopersicum (493 Activities)

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Fulvia fulva (138 Activities)

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

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Verticillium dahliae (119 Activities)

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Solanum melongena (11 Activities)

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Erysiphe necator (54 Activities)

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Pseudoperonospora cubensis (1623 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 70 °C
• Flammpunkt (°C): 70°C
• Siedepunkt (°C): 312 °C
• Schmelzpunkt (°C): 72.9°C
• Molekulargewicht: 408.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 408.13 Da
• Monoisotopic Mass: 408.13 Da
• Topological Polar Surface Area: 69.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 607.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1