ChemicalBook--->CAS DataBase List--->907204-31-3

907204-31-3

907204-31-3 Structure

907204-31-3 Structure
IdentificationBack Directory
[Name]

Fluxapyroxad
[CAS]

907204-31-3
[Synonyms]

Xemium
907204-31-3
Fluxapyroxad
Fluxapyroxad@100 μg/mL in Acetonitrile
Fluxapyroxad@1000 μg/mL in Acetonitrile
Fluxapyroxad Solution in Acetonitrile, 100μg/mL
3-(difluoromethyl)-1-methyl-N-(3',4',5'-trifluorobiphenyl-2-...
3-(Difluoromethyl)-1-methyl-N-(3′,4′,5′-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide
3-(Difluoromethyl)-1-methyl-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide
3-(DIFLUOROMETHYL)-1-METHYL-N-(3,4,5-TRIFLUORO-[1,1-BIPHENYL]-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE
1H-Pyrazole-4-carboxaMide, 3-(difluoroMethyl)-1-Methyl-N-(3',4',5'-trifluoro[1,1'-biphenyl]-2-yl)-
[Molecular Formula]

C18H12F5N3O
[MDL Number]

MFCD22373628
[MOL File]

907204-31-3.mol
[Molecular Weight]

381.299
Chemical PropertiesBack Directory
[Boiling point ]

428.4±45.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : ≥ 100 mg/mL (262.26 mM)
[form ]

neat
[pka]

11.73±0.70(Predicted)
[color ]

White to off-white
[BRN ]

15702063
[Henry's Law Constant]

3.3×106 mol/(m3Pa) at 25℃, Maniere et al. (2011)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
[InChIKey]

SXSGXWCSHSVPGB-UHFFFAOYSA-N
[SMILES]

N1(C)C=C(C(NC2=CC=CC=C2C2=CC(F)=C(F)C(F)=C2)=O)C(C(F)F)=N1
[EPA Substance Registry System]

1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-N-(3',4',5'-trifluoro[1,1'-biphenyl]-2-yl)- (907204-31-3)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
[Signal word ]

Warning
[Hazard statements ]

H351-H362-H410
[Precautionary statements ]

P201-P202-P260-P263-P273-P308+P313
[Hazard Codes ]

Xn,N
[Risk Statements ]

40-50/53
[Safety Statements ]

36/37-60-61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Carc. 2
Lact.
Hazard InformationBack Directory
[Chemical Properties]

Flumioxazin is white crystal, melting point 156.8℃, relative density 1.42 (room temperature), vapor pressure (25℃) >8.1×10-9 Pa. Its solubility at room temperature (g/L, 20℃): acetone >250, acetonitrile 167.6±0.2, methylene chloride 146.1±0.3, ethyl acetate 123.3±0.2, methanol 53.4, toluene 20.0, n-octanol 4.69, n-heptane 0.106. Kow logP is 3.08 (deionized water, 3.09 (pH 4), n-heptanol 0.106. 20.0, n-octanol 4.69, n-heptane 0.106. octanol/water partition coefficients (20°C) Kow logP were 3.08 (deionized water), 3.09 (pH 4), 3.13 (pH 7), 3.09 (pH 9).
[Uses]

Fluxapyroxad is a new generation carboxamide funugicide and its residues are found in food. Pesticide component.
[Definition]

ChEBI: An aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4',5'-trifluorobiphenyl-2-amine. Used to control a number of cereal fungal pathogens including those elonging to the Ascomycetes, Basidiomycetes and Zygomycetes families.
[Production Methods]

Fluxapyroxad is commercially produced through a multi-step synthesis involving the construction of a pyrazole carboxamide core. The process begins with the formation of a substituted pyrazole ring, followed by coupling with a trifluorinated biphenyl derivative to yield the final active ingredient: 3-(difluoromethyl)-1-methyl-N-(3′,4′,5′-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide.
[Mechanism of action]

Has proventative and curative properties and works by preventing spore gemination and infection development. Succinate Dehydrogenase Inhibitor.
[in vivo]

Fluxapyroxad (10 mg/kg/day, po via diet for 13 weeks) induces the body weight gain reduction, colon length reduction, intestinal barrier integrity impairment and proinflammatory cytokines secretion, inducing chronic colonic inflammation in C57BL/6 J mice[2].

Animal Model:C57BL/6 J mouse model[2].
Dosage:10 mg/kg/day
Administration:po via diet for 13 weeks
Result:Decreased body weight gain, shortened the colon length, damaged the colonic crypts, increased the levels of proinflammatory cytokines IL-6, IL-1β, and TNF-α, decreased the level of IL-22, impaired the intestinal barrier integrity.
[Pesticide Type]

Fungicide
Spectrum DetailBack Directory
[Spectrum Detail]

Fluxapyroxad(907204-31-3)1HNMR
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