Fenbuconazole

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

MedKoo CAT#: 463353

CAS#: 114369-43-6

Description: 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

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Fenbuconazole
CAS# 114369-43-6

Theoretical Analysis

MedKoo Cat#: 463353
Name: Fenbuconazole
CAS#: 114369-43-6
Chemical Formula: C19H17ClN4
Exact Mass: 336.11
Molecular Weight: 336.823
Elemental Analysis: C, 67.75; H, 5.09; Cl, 10.52; N, 16.63

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Wang W, Wan Q, Li Y, Xu W, Yu X. Uptake, translocation and subcellular distribution of pesticides in Chinese cabbage (Brassica rapa var. chinensis). Ecotoxicol Environ Saf. 2019 Nov 15;183:109488. doi: 10.1016/j.ecoenv.2019.109488. Epub 2019 Jul 31. PMID: 31376804.

2: Raina-Fulton R, Mohamad AA. Pressurized Solvent Extraction with Ethyl Acetate and Liquid Chromatography-Tandem Mass Spectrometry for the Analysis of Selected Conazole Fungicides in Matcha. Toxics. 2018 Oct 25;6(4):64. doi: 10.3390/toxics6040064. PMID: 30366422; PMCID: PMC6315461.

3: European Food Safety Authority (EFSA), Brancato A, Brocca D, Carrasco Cabrera L, De Lentdecker C, Erdos Z, Ferreira L, Greco L, Jarrah S, Kardassi D, Leuschner R, Lostia A, Lythgo C, Medina P, Miron I, Molnar T, Pedersen R, Reich H, Sacchi A, Santos M, Stanek A, Sturma J, Tarazona J, Theobald A, Vagenende B, Villamar-Bouza L. 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.