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87546-18-7

87546-18-7 Structure

87546-18-7 Structure
IdentificationBack Directory
[Name]

FLUMICLORAC-PENTYL
[CAS]

87546-18-7
[Synonyms]

S 2303
S 23031
V 23031
RESOURCE
SUMIVERDE
Pentyl ester
Flumiclorac-pe
fluMiclorac-penty
FLUMICLORAC-PENTYL
Flumiclorac-pentyl Standard
Flumiclorac-pentyl Solution, 1000ppm
flumiclorac-pentyl (bsi,pa iso,ansi)
Flumiclorac-pentyl@100 μg/mL in Methanol
Flumiclorac-pentyl@1000 μg/mL in Methanol
PENTYL2-CHLORO-4-FLUORO-5-(3,4,5,6-TETRAHYDROPHTHALIMIDO).
PENTYL2-CHLORO-4-FLUORO-5-(3,4,5,6-TETRAHYDROPHTHALIMIDO)PHENOXYACETATE
pentyl-[2-chloro-5-(cyclohex-1-ene-1,2-dicarboxamido)-4-fluorophenoxy] acetate
[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid pentylester
2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid pentyl ester
Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester
pentyl(2-chloro-5-(cyclohex-1-ene-1,2-dicarboxamido)-4-fluorophenoxy)acetate (2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy)acetic acid phentyl ester
[Molecular Formula]

C21H23ClFNO5
[MDL Number]

MFCD04112759
[MOL File]

87546-18-7.mol
[Molecular Weight]

423.86
Chemical PropertiesBack Directory
[Melting point ]

90-91℃
[Boiling point ]

558.0±50.0 °C(Predicted)
[density ]

d20 1.3316
[storage temp. ]

0-6°C
[pka]

-2.32±0.20(Predicted)
[EPA Substance Registry System]

Flumiclorac-pentyl (87546-18-7)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Ethyl chloroformate-->Amyl acetate-->4-Fluorophenol-->3,4,5,6-Tetrahydrophthalic anhydride-->2-Chloro-4-fluoro-5-nitrophenol
Safety DataBack Directory
[HS Code ]

29251900
[Toxicity]

LD50 in rats (mg/kg): >5000 orally; >2000 dermally (Kamoshita)
Hazard InformationBack Directory
[Chemical Properties]

The pure product is a white powdery solid. Its melting point is 88.9-90.1°C, relative density is 1.33 (20°C), vapor pressure is 1.0×10-5 Pa (25°C), and partition coefficient is 4.99 (20°C). Its solubility at 25°C is: methanol 47.8 g/L, n-octanol 16.0 g/L, acetone 590 g/L, n-hexane 3.28 g/L, and water 0.189 mg/L. Its half-life in water is 6 minutes (pH = 9), 19 hours (pH = 7), and 42 days (pH = 5).
[Uses]

Herbicide.
[Definition]

ChEBI: Flumiclorac pentyl is a pyrroline.
[Metabolic pathway]

In the feces and urine of rats, more than 90% of administered 14C-flumiclorac pentyl is excreted within 48 h of treatment. Flumiclorac pentyl is rapidly and extensively metabolized. The major fecal metabolites are identified as the sulfonic acid conjugates, and the major urinary metabolite is identified as 5-amino-2- chloro-4-fluorophenoxyacetic acid. The metabolic reactions include cleavage of the ester linkage, cleavage of the imide linkage, hydroxylation and following reduction at the cyclohexene ring of the cyclohexene- 1,2-dicarboxylic acid moiety, and incorporation of a sulfonic acid group into the carbon ? carbon double bond of the 3,4,5,6-tetrahydrophthalimide moiety.
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