7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one

Base Information

Chemical Name:7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one
CAS No.:103361-67-7
Molecular Formula:C8H5FN2O4
Molecular Weight:212.137
Hs Code.:
DSSTox Substance ID:DTXSID20547846
Wikidata:Q82426341
Mol file:103361-67-7.mol

Synonyms:103361-67-7;7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one;7-fluoro-6-nitro-4H-1,4-benzoxazin-3-one;7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97per cent;SCHEMBL8917238;7-fluoro-3,4-dihydro-3-oxo-6-nitro-2H-1,4-benzoxazine;DTXSID20547846;MNUBUFBVOBPANC-UHFFFAOYSA-N;CS-0255575;7-fluoro-6-nitro-4H-benzo[1,4]oxazin-3-one;7-Fluoro-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

Suppliers and Price of 7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Alfa Aesar
7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97%
1g
$ 209.00

Alfa Aesar
7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97%
250mg
$ 66.30

Total 8 raw suppliers

Chemical Property of 7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

Melting Point:205.9 °C
Boiling Point:427.4±45.0 °C(Predicted)
PKA:10.20±0.20(Predicted)
PSA：87.64000
Density:1.561±0.06 g/cm3(Predicted)
LogP:1.67310
Water Solubility.:Slightly soluble in water.
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:212.02333481
Heavy Atom Count:15
Complexity:293

Purity/Quality:

98%min ^*data from raw suppliers

7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)NC2=CC(=C(C=C2O1)F)[N+](=O)[O-]
Uses It is used in medicine.

Technology Process of 7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one

There total 7 articles about 7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

: 103361-99-5
7-fluoro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 103361-67-7
7-fluoro-3,4-dihydro-3-oxo-6-nitro-2H-1,4-benzoxazine

Guidance literature:: With sulfuric acid; nitric acid; at -10 ℃; for 0.166667h;

Reference yield:

: 446-36-6
5-fluoro-2-nitrophenol

: 103361-67-7
7-fluoro-3,4-dihydro-3-oxo-6-nitro-2H-1,4-benzoxazine

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / 1 h / Inert atmosphere; Reflux

2: ammonium chloride; iron / water; methanol / 2 h / 80 °C

3: sulfuric acid; nitric acid / 0.5 h / 0 °C / Inert atmosphere

With sulfuric acid; nitric acid; iron; potassium carbonate; ammonium chloride; In methanol; water; acetonitrile;

Reference yield:

: 103362-07-8
ethyl 2-(5-fluoro-2-nitrophenoxy)acetate

: 103361-67-7
7-fluoro-3,4-dihydro-3-oxo-6-nitro-2H-1,4-benzoxazine

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium chloride; iron / water; methanol / 2 h / 80 °C

2: sulfuric acid; nitric acid / 0.5 h / 0 °C / Inert atmosphere

With sulfuric acid; nitric acid; iron; ammonium chloride; In methanol; water;