MedKoo Cat#: 463353 | Name: Fenbuconazole

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Fenbuconazole is a triazole fungicide intended for use as an agricultural and horticultural fungicide spray for the control of leaf spot, yellow and brown rust, powdery mildew and net blotch on wheat and barley and apple scab, pear scab and apple powdery mildew on apples and pears.

Chemical Structure

Fenbuconazole
Fenbuconazole
CAS#114369-43-6

Theoretical Analysis

MedKoo Cat#: 463353

Name: Fenbuconazole

CAS#: 114369-43-6

Chemical Formula: C19H17ClN4

Exact Mass: 336.1142

Molecular Weight: 336.82

Elemental Analysis: C, 67.75; H, 5.09; Cl, 10.52; N, 16.63

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Fenbuconazole;
IUPAC/Chemical Name
2-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile
InChi Key
RQDJADAKIFFEKQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
SMILES Code
Clc1ccc(CCC(C#N)(c2ccccc2)Cn3ncnc3)cc1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 336.82 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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Review of the existing maximum residue levels for fenbuconazole according to Article 12 of Regulation (EC) No 396/2005. EFSA J. 2018 Aug 31;16(8):e05399. doi: 10.2903/j.efsa.2018.5399. PMID: 32626033; PMCID: PMC7009603. 4: Chen S, Wang Y, Schnabel G, Peng CA, Lagishetty S, Smith K, Luo C, Yuan H. Inherent Resistance to 14α-Demethylation Inhibitor Fungicides in Colletotrichum truncatum Is Likely Linked to CYP51A and/or CYP51B Gene Variants. Phytopathology. 2018 Nov;108(11):1263-1275. doi: 10.1094/PHYTO-02-18-0054-R. Epub 2018 Sep 19. PMID: 29792573. 5: Wu Y, Yang Q, Chen M, Zhang Y, Zuo Z, Wang C. Fenbuconazole exposure impacts the development of zebrafish embryos. Ecotoxicol Environ Saf. 2018 Aug 30;158:293-299. doi: 10.1016/j.ecoenv.2018.04.048. Epub 2018 Apr 30. PMID: 29715634. 6: Santos Barreto A, de Cássia da Silva Andrade P, Meira Farias J, Menezes Filho A, Fernandes de Sá G, Alves Júnior S. Characterization and application of a lanthanide-based metal-organic framework in the development and validation of a matrix solid-phase dispersion procedure for pesticide extraction on peppers (Capsicum annuum L.) with gas chromatography-mass spectrometry. J Sep Sci. 2018 Apr;41(7):1593-1599. doi: 10.1002/jssc.201700812. Epub 2018 Jan 26. PMID: 29280559. 7: Tao Y, Zheng Z, Yu Y, Xu J, Liu X, Wu X, Dong F, Zheng Y. Supercritical fluid chromatography-tandem mass spectrometry-assisted methodology for rapid enantiomeric analysis of fenbuconazole and its chiral metabolites in fruits, vegetables, cereals, and soil. Food Chem. 2018 Feb 15;241:32-39. doi: 10.1016/j.foodchem.2017.08.038. Epub 2017 Aug 14. PMID: 28958535. 8: Chen SN, Luo CX, Hu MJ, Schnabel G. Sensitivity of Colletotrichum Species, Including C. fioriniae and C. nymphaeae, from Peach to Demethylation Inhibitor Fungicides. Plant Dis. 2016 Dec;100(12):2434-2441. doi: 10.1094/PDIS-04-16-0574-RE. Epub 2016 Sep 26. PMID: 30686167. 9: Boudreau TF 4th, Peck GM, O'Keefe SF, Stewart AC. The interactive effect of fungicide residues and yeast assimilable nitrogen on fermentation kinetics and hydrogen sulfide production during cider fermentation. J Sci Food Agric. 2017 Jan;97(2):693-704. doi: 10.1002/jsfa.8096. Epub 2016 Nov 17. PMID: 27747891; PMCID: PMC5215524. 10: Lassalle Y, Nicol E, Genty C, Bourcier S, Bouchonnet S. Isomerization of fenbuconazole under UV-visible irradiation - chemical and toxicological approaches. Rapid Commun Mass Spectrom. 2015 Jul 30;29(14):1335-42. doi: 10.1002/rcm.7227. PMID: 26405795. 11: Kang G, Kim J, Park H, Kim TH. Crystal structure of fenbuconazole. Acta Crystallogr E Crystallogr Commun. 2015 Aug 22;71(Pt 9):o680-1. doi: 10.1107/S205698901501542X. PMID: 26396902; PMCID: PMC4555419. 12: Chai T, Yang W, Qiu J, Hou S. Direct enantioseparation of nitrogen- heterocyclic pesticides on cellulose-based chiral column by high-performance liquid chromatography. Chirality. 2015 Jan;27(1):32-8. doi: 10.1002/chir.22385. Epub 2014 Oct 20. PMID: 25331721. 13: Chai T, Jia Q, Yang S, Qiu J. Simultaneous stereoselective detection of chiral fungicides in soil by LC-MS/MS with fast sample preparation. J Sep Sci. 2014 Mar;37(5):595-601. doi: 10.1002/jssc.201301193. Epub 2014 Jan 16. PMID: 24347516. 14: Biddinger DJ, Robertson JL, Mullin C, Frazier J, Ashcraft SA, Rajotte EG, Joshi NK, Vaughn M. Comparative toxicities and synergism of apple orchard pesticides to Apis mellifera (L.) and Osmia cornifrons (Radoszkowski). PLoS One. 2013 Sep 9;8(9):e72587. doi: 10.1371/journal.pone.0072587. PMID: 24039783; PMCID: PMC3767698. 15: Ohta R, Takagi A, Ohmukai H, Marumo H, Ono A, Matsushima Y, Inoue T, Ono H, Kanno J. Ovariectomized mouse uterotrophic assay of 36 chemicals. J Toxicol Sci. 2012;37(5):879-89. doi: 10.2131/jts.37.879. PMID: 23037998. 16: Yang W, Qiu J, Chen T, Yang S, Hou S. Direct enantioseparation of nitrogen- heterocyclic pesticides on amylose-tris-(5-chloro-2-methylphenylcarbamate) by reversed-phase high-performance liquid chromatography. Chirality. 2012 Dec;24(12):1031-6. doi: 10.1002/chir.22092. Epub 2012 Jun 22. PMID: 22730202. 17: Zhang K, Wong JW, Yang P, Hayward DG, Sakuma T, Zou Y, Schreiber A, Borton C, Nguyen TV, Kaushik B, Oulkar D. Protocol for an electrospray ionization tandem mass spectral product ion library: development and application for identification of 240 pesticides in foods. Anal Chem. 2012 Jul 3;84(13):5677-84. doi: 10.1021/ac300844d. Epub 2012 Jun 21. PMID: 22686274. 18: Li Y, Dong F, Liu X, Xu J, Li J, Kong Z, Chen X, Zheng Y. Environmental behavior of the chiral triazole fungicide fenbuconazole and its chiral metabolites: enantioselective transformation and degradation in soils. Environ Sci Technol. 2012 Mar 6;46(5):2675-83. doi: 10.1021/es203320x. Epub 2012 Feb 16. PMID: 22339258. 19: Li Y, Dong F, Liu X, Xu J, Li J, Kong Z, Chen X, Liang X, Zheng Y. Simultaneous enantioselective determination of triazole fungicides in soil and water by chiral liquid chromatography/tandem mass spectrometry. J Chromatogr A. 2012 Feb 10;1224:51-60. doi: 10.1016/j.chroma.2011.12.044. Epub 2011 Dec 20. PMID: 22209355. 20: Shapiro-Ilan DI, Reilly CC, Hotchkiss MW. Comparative impact of artificial selection for fungicide resistance on Beauveria bassiana and Metarhizium brunneum. Environ Entomol. 2011 Feb;40(1):59-65. doi: 10.1603/EN10214. PMID: 22182612.