557412
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
97%
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About This Item
Empirical Formula (Hill Notation):
C8H6FNO2
CAS Number:
Molecular Weight:
167.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
InChI
1S/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
SMILES string
Fc1ccc2OCC(=O)Nc2c1
InChI key
ZKNRUFWEZPGGQP-UHFFFAOYSA-N
assay
97%
form
solid
mp
207-211 °C (lit.)
functional group
fluoro
General description
Due to the presence of halogen (F) at C-6 position in 6-fluoro-2H-1,4-benzoxazin-3(4H)-one (in active form), it exhibits phytotoxic activity.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Francisco A Macías et al.
Journal of agricultural and food chemistry, 54(26), 9843-9851 (2006-12-21)
The utility of benzoxazinones and some of their synthetic derivatives in the search for new leads for herbicide model development has been widely discussed. As the benzoxazinone skeleton contains three different potential areas for functionalization (C-2, N-4, and aromatic protons
Photoelectrochemical reduction of meta-halonitrobenzenes and related species.
Robert AW and George WJ.
J. Chem. Soc. Perkin Trans. II, 8, 1673-1677 (1995)
Catalytic hydrogenation of sulfur-containing nitrobenzene over Pd/C catalysts: In situ sulfidation of Pd/C for the preparation of Pd x S y catalysts.
Zhang Q, et al.
Applied Catalysis A: General, 497, 17-21 (2015)
H B Dunford
Redox report : communications in free radical research, 5(4), 169-171 (2000-09-20)
The first complete mechanistic analysis of halide ion oxidation by a peroxidase was that of iodide oxidation by horseradish peroxidase. It was shown conclusively that a two-electron oxidation of iodide by compound I was occurring. This implied that oxygen atom
The proximate coupling constant, 5 J (H, CH3), and the torsional mobility of the thiomethyl group in some thioanisole derivatives.
Schaefer T, et al.
Canadian Journal of Chemistry, 69(4), 620-624 (1991)
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