Isoxaflutole
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MedKoo CAT#: 461447

CAS#: 141112-29-0

Description: Isoxaflutole is a preemergence herbicide that has been marketed as a substitute for atrazine.


Chemical Structure

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Isoxaflutole
CAS# 141112-29-0

Theoretical Analysis

MedKoo Cat#: 461447
Name: Isoxaflutole
CAS#: 141112-29-0
Chemical Formula: C15H12F3NO4S
Exact Mass: 359.0439
Molecular Weight: 359.31
Elemental Analysis: C, 50.14; H, 3.37; F, 15.86; N, 3.90; O, 17.81; S, 8.92

Price and Availability

Size Price Availability Quantity
100.0mg USD 280.0 2 Weeks
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Synonym: Isoxaflutole; Merlin; RP 201772; RP-201772; RP201772;

IUPAC/Chemical Name: (5-cyclopropylisoxazol-4-yl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone

InChi Key: OYIKARCXOQLFHF-UHFFFAOYSA-N

InChi Code: InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3

SMILES Code: O=C(C1=C(C2CC2)ON=C1)C3=CC=C(C(F)(F)F)C=C3S(=O)(C)=O

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: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 359.31 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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1: Milan M, Ferrero A, Fogliatto S, Piano S, Vidotto F. Leaching of S-metolachlor, terbuthylazine, desethyl-terbuthylazine, mesotrione, flufenacet, isoxaflutole, and diketonitrile in field lysimeters as affected by the time elapsed between spraying and first leaching event. J Environ Sci Health B. 2015;50(12):851-61. doi: 10.1080/03601234.2015.1062650. Epub 2015 Aug 7. PubMed PMID: 26252079.

2: Alletto L, Coquet Y, Bergheaud V, Benoit P. Water pressure head and temperature impact on isoxaflutole degradation in crop residues and loamy surface soil under conventional and conservation tillage management. Chemosphere. 2012 Aug;88(9):1043-50. doi: 10.1016/j.chemosphere.2012.05.021. Epub 2012 Jun 6. PubMed PMID: 22677522.

3: Milan M, Ferrero A, Letey M, De Palo F, Vidotto F. Effect of buffer strips and soil texture on runoff losses of flufenacet and isoxaflutole from maize fields. J Environ Sci Health B. 2013;48(12):1021-33. doi: 10.1080/03601234.2013.824239. PubMed PMID: 24007479.

4: Alletto L, Benoit P, Bergheaud V, Coquet Y. Variability of retention process of isoxaflutole and its diketonitrile metabolite in soil under conventional and conservation tillage. Pest Manag Sci. 2012 Apr;68(4):610-7. doi: 10.1002/ps.2304. Epub 2012 Jan 30. PubMed PMID: 22290825.

5: Wu SH, Goyne KW, Lerch RN, Lin CH. Adsorption of isoxaflutole degradates to aluminum and iron hydrous oxides. J Environ Qual. 2011 Mar-Apr;40(2):528-37. PubMed PMID: 21520760.

6: Taylor-Lovell S, Sims GK, Wax LM. Effects of moisture, temperature, and biological activity on the degradation of isoxaflutole in soil. J Agric Food Chem. 2002 Sep 25;50(20):5626-33. PubMed PMID: 12236689.

7: Ramanarayanan T, Narasimhan B, Srinivasan R. Characterization of fate and transport of isoxaflutole, a soil-applied corn herbicide, in surface water using a watershed model. J Agric Food Chem. 2005 Nov 2;53(22):8848-58. PubMed PMID: 16248595.

8: Celar FA, Kos K. Effects of selected herbicides and fungicides on growth, sporulation and conidial germination of entomopathogenic fungus Beauveria bassiana. Pest Manag Sci. 2016 Nov;72(11):2110-2117. doi: 10.1002/ps.4240. Epub 2016 Feb 29. PubMed PMID: 26817532.

9: Rice PJ, Koskinen WC, Carrizosa MJ. Effect of soil properties on the degradation of isoxaflutole and the sorption-desorption of isoxaflutole and its diketonitrile degradate. J Agric Food Chem. 2004 Dec 15;52(25):7621-7. PubMed PMID: 15675813.

10: Lin CH, Lerch RN, Garrett HE, George MF. Degradation of isoxaflutole (balance) herbicide by hypochlorite in tap water. J Agric Food Chem. 2003 Dec 31;51(27):8011-4. PubMed PMID: 14690388.

11: Inoue MH, Oliveira RS Jr, Constantin J, Alonso DG, Tormena CA. Bioavailability of diuron, imazapic and isoxaflutole in soils of contrasting textures. J Environ Sci Health B. 2009 Nov;44(8):757-63. doi: 10.1080/03601230903237998. PubMed PMID: 20183087.

12: Rouchaud J, Neus O, Eelen H, Bulcke R. Fate of the herbicide isoxaflutole in the soil of corn fields. Meded Rijksuniv Gent Fak Landbouwkd Toegep Biol Wet. 2001;66(2b):723-9. PubMed PMID: 12425096.

13: Lerch RN, Lin CH, Leigh ND. Reaction pathways of the diketonitrile degradate of isoxaflutole with hypochlorite in water. J Agric Food Chem. 2007 Mar 7;55(5):1893-9. Epub 2007 Feb 7. PubMed PMID: 17284050.

14: Rouchaud J, Neus O, Eelen H, Bulcke R. Soil metabolism of isoxaflutole in corn. Arch Environ Contam Toxicol. 2002 Apr;42(3):280-5. PubMed PMID: 11910455.

15: Mougin C, Boyer FD, Caminade E, Rama R. Cleavage of the diketonitrile derivative of the herbicide isoxaflutole by extracellular fungal oxidases. J Agric Food Chem. 2000 Oct;48(10):4529-34. PubMed PMID: 11052694.

16: Pallett KE, Cramp SM, Little JP, Veerasekaran P, Crudace AJ, Slater AE. Isoxaflutole: the background to its discovery and the basis of its herbicidal properties. Pest Manag Sci. 2001 Feb;57(2):133-42. Review. PubMed PMID: 11455644.

17: Siehl DL, Tao Y, Albert H, Dong Y, Heckert M, Madrigal A, Lincoln-Cabatu B, Lu J, Fenwick T, Bermudez E, Sandoval M, Horn C, Green JM, Hale T, Pagano P, Clark J, Udranszky IA, Rizzo N, Bourett T, Howard RJ, Johnson DH, Vogt M, Akinsola G, Castle LA. Broad 4-hydroxyphenylpyruvate dioxygenase inhibitor herbicide tolerance in soybean with an optimized enzyme and expression cassette. Plant Physiol. 2014 Nov;166(3):1162-76. doi: 10.1104/pp.114.247205. Epub 2014 Sep 5. PubMed PMID: 25192697; PubMed Central PMCID: PMC4226376.

18: Rupprecht JK, Liu A, Kelly I, Allen R. Degradation of RPA 202248 [U-14C-phenyl]alpha(-(cyclopropylcarbonyl)-2-(methylsulfonyl)-beta-oxo-4-(triflur omethyl)benzenepropanenitrile), the primary degradation product of isoxaflutole, in an outdoor aquatic microcosm system. J Environ Sci Health B. 2004;39(5-6):725-36. PubMed PMID: 15620081.

19: Lin CH, Lerch RN, Garrett HE, Li YX, George MF. Improved HPLC-MS/MS method for determination of isoxaflutole (balance) and its metabolites in soils and forage plants. J Agric Food Chem. 2007 May 16;55(10):3805-15. Epub 2007 Apr 14. PubMed PMID: 17432871.

20: Meyer MT, Scribner EA, Kalkhoff SJ. Comparison of fate and transport of isoxaflutole to atrazine and metolachlor in 10 Iowa rivers. Environ Sci Technol. 2007 Oct 15;41(20):6933-9. PubMed PMID: 17993131.