Tebufenpyrad Solution in Methanol - 100μg/mL in Methanol, uncertainty 3% , CAS No.119168-77-3

CAS: 119168-77-3 Cat. No.: BWY398313 Formula: C₁₈H₂₄ClN₃O Peso molecolare: 333.86 Numero EC: 601-585-0

GRADE & PURITY 100μg/mL in Methanol, uncertainty 3%

Synonyms

Tebufenpyrad|119168-77-3|Pyranica|Tebufenpyrad [ISO]|Comanche|MK239|4-Chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-(tert-Butyl)benzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|IRU3P7ZB3F|N-(4-t-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

Tebufenpyrad | 119168-77-3 | Pyranica | Tebufenpyrad [ISO] | Comanche | MK239 | 4-Chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide | N-(4-(tert-Butyl)benzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide | IRU3P7ZB3F | N-(4-t-

Specifiche e purezza

100μg/mL in Methanol, uncertainty 3%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
• IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide
• InChIKey: ZZYSLNWGKKDOML-UHFFFAOYSA-N
• INCHI: 1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
• Isomeri SMILES: CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
• Peso molecolare: 333.86
• Reaxy-Rn: 8636471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8636471&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Pyrazole-5-carboxamides 2-heteroaryl carboxamides Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropane - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aryl chloride - Aryl halide - Azole - Pyrazole - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Pyrazole insecticides

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

Obiettivi associati (umani)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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NR3C1 Tclin Glucocorticoid receptor (14987 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)

Discover Target: PPARG

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 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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Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Myzus persicae (1112 Activities)

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Tetranychus urticae (2600 Activities)

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Plutella xylostella (1838 Activities)

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Aphis craccivora (935 Activities)

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Nilaparvata lugens (786 Activities)

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

Discover Target: Nr1i2

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Culex pipiens pallens (759 Activities)

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Panonychus citri (24 Activities)

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Panonychus ulmi (60 Activities)

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Bombus terrestris (160 Activities)

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Tetranychus cinnabarinus (1124 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 333.900 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 333.161 Da
• Monoisotopic Mass: 333.161 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 402.000
• 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

Riferimenti

1. Yunfeng Chai, Hongping Chen, Xin Liu, Chengyin Lu.  (2019)  Formation of Carbon Dioxide Attached Fragment Ions in the Fragmentation of Deprotonated Tolfenpyrad and Tebufenpyrad.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:31338738] [10.1007/s13361-019-02273-9]

2. Baoqiang Hao, Renyuan Zhang, Genye He, Zishi An, Xiaoqing Li, Jing Li.  (2025)  Dichloroacetylene Formation from Azoles in the UV/Chlorine Process.  ACS ES&T Engineering,      [PMID:] [10.1021/acsestengg.5c00055]

Domande frequenti

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 119168-77-3, the molecular formula is C18H24ClN3O, and the molecular weight is 333.86 g/mol. InChIKey ZZYSLNWGKKDOML-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.