Triadimefon Solution in Hexane - 100μg/mL in Hexane ，uncertain3% , CAS No.43121-43-3

CAS: 43121-43-3 Cat. No.: BWY395929 Summenformel: C₁₄H₁₆ClN₃O₂ Molekulargewicht: 293.75 EG-Nummer: 256-103-8

GRADE & PURITY 100μg/mL in Hexane ，uncertain3%

Synonyms

FT-0639834 | Mighty | TRIADIMEFON [MI] | 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)- | STL281794 | Tartan (fungicide) | Triadimefone | IFLab1_000075 | NSC 303303 | Q2452254 | BAY 6681 F | CHEBI:84002 | EU-0066688 | Triadimefon

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

FT-0639834 | Mighty | TRIADIMEFON [MI] | 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)- | STL281794 | Tartan (fungicide) | Triadimefone | IFLab1_000075 | NSC 303303 | Q2452254 | BAY 6681 F | CHEBI:84002 | EU-0066688 | Triadimefon

Spezifikationen & Reinheit

100μg/mL in Hexane ，uncertain3%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl

IUPAC Name

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

InChIKey

WURBVZBTWMNKQT-UHFFFAOYSA-N

INCHI

1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3

Isomere SMILES

CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl

Molekulargewicht

293.75

Reaxy-Rn

619231

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=619231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: Conazole 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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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Alternaria solani (773 Activities)

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Oculimacula yallundae (312 Activities)

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Cercospora beticola (433 Activities)

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Pyricularia grisea (1253 Activities)

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Plasmodium falciparum (966862 Activities)

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Colletotrichum musae (107 Activities)

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Fusarium oxysporum (3998 Activities)

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Blumeria graminis (462 Activities)

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Penicillium digitatum (260 Activities)

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Botrytis cinerea (4183 Activities)

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Fusarium verticillioides (912 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Bipolaris sorokiniana (107 Activities)

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Cladosporium cucumerinum (320 Activities)

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Colletotrichum fragariae (147 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Cucumis sativus (803 Activities)

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Helminthosporium (185 Activities)

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Lasiodiplodia theobromae (193 Activities)

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Mycosphaerella arachidis (441 Activities)

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Rhizoctonia solani (2251 Activities)

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Sclerotinia sclerotiorum (877 Activities)

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Venturia inaequalis (72 Activities)

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Botryosphaeria berengeriana (484 Activities)

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

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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HSP40, subfamily A, putative (505 Activities)

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SKN7 Transcription factor SKN7 (365 Activities)

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cyp51 Cytochrome P450 14alpha-demethylase (59 Activities)

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CYP51B P450 sterol 14-alpha-demethylase (12 Activities)

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Dothiorella gregaria (66 Activities)

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Fusarium graminearum (1554 Activities)

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Podosphaera fuliginea (1057 Activities)

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Blumeria graminis f. sp. tritici (444 Activities)

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Botrytis (43 Activities)

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Colletotrichum gossypii (62 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 162 °F
• Flammpunkt (°C): 72 °C
• Schmelzpunkt (°C): 82-83°C
• Molekulargewicht: 293.750 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 293.093 Da
• Monoisotopic Mass: 293.093 Da
• Topological Polar Surface Area: 57.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 43121-43-3, the molecular formula is C14H16ClN3O2, and the molecular weight is 293.75 g/mol. InChIKey WURBVZBTWMNKQT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.