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Sigma-Aldrich

2,6-Difluorobenzoic acid

98%

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About This Item

Linear Formula:
F2C6H3CO2H
CAS Number:
385-00-2
Molecular Weight:
158.10
Beilstein/REAXYS Number:
973774
EC Number:
206-856-3
MDL number:
MFCD00002411
UNSPSC Code:
12352100
PubChem Substance ID:
24851412
NACRES:
NA.22

assay

98%

form

solid

mp

157-161 °C (lit.)

SMILES string

OC(=O)c1c(F)cccc1F

InChI

1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChI key

ONOTYLMNTZNAQZ-UHFFFAOYSA-N

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General description

2,6-Difluorobenzoic acid is the major degradation product of diflubenzuron.

Application

2,6-Difluorobenzoic acid has been used in the synthesis of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide and methyl 2,6-difluorobenzoate.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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E Gattavecchia et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 16(2), 159-166 (1981-01-01)
Diflubenzuron (I) and its major degradation products 4-chlorophenyl urea (II), 2,6-difluorobenzoic acid (III) and 4-chloroaniline (IV) were tested for their activity on Euglena gracilis Z. The inhibition on the growth and on the incorporation of glycine-U-14C in the protein of
A Karipides et al.
Acta crystallographica. Section C, Crystal structure communications, 48 ( Pt 6), 1015-1018 (1992-06-15)
Ca2+.2C7H3O2F2-.2H2O, M(r) = 390.3, monoclinic, C2/c, a = 17.584 (4), b = 10.771 (3), c = 7.887 (2) A, beta = 91.28 (2) degrees, V = 1493 A3, Z = 4, Dm = 1.75, Dx = 1.74 g cm-3, lambda(Mo
Li Chen et al.
Journal of agricultural and food chemistry, 53(1), 38-41 (2005-01-06)
Two series of benzoylphenylurea derivatives were synthesized as candidate propesticides by a nucleophilic addition reaction between 2,6-difluronbenzoyl isocyanate and N-substitutedaniline. The new compounds were identified by 1H NMR spectroscopy, electron ionization-mass spectrometry, and elemental analyses. The bioactivities of the new
J Koerts et al.
Xenobiotica; the fate of foreign compounds in biological systems, 27(8), 801-817 (1997-08-01)
1. The metabolic fate of the insecticide teflubenzuron, orally dosed to the male Wistar rat, was investigated. Particular attention was paid to the metabolic fate of the benzoyl and aniline moiety after hydrolysis of the urea bridge. 2. The 0-48-h
Min Wang et al.
Bioorganic & medicinal chemistry letters, 23(4), 1017-1021 (2013-01-09)
The authentic standard 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide was synthesized from 2,6-difluorobenzoic acid and 3-amino-5-hydroxypyrazole in 9 steps with 1% overall chemical yield. Direct desmethylation of the reference standard with TMSCl/NaI gave the precursor 2,6-difluoro-N-(3-hydroxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide for radiolabeling in 70% yield. The target tracer 2,6-difluoro-N-(3-[(11)C]methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide
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