Description

7-Fluoro-6-amino-2H-1,4-benzoxazin-3(4H)-one (CAS No. 112748-06-8) is a high-purity fluorinated benzoxazinone derivative with the molecular formula C₈H₇FN₂O₂. This heterocyclic compound features a benzoxazine core functionalized with an amino group and a fluorine atom at the 6- and 7-positions, respectively, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 6-amino-7-fluoro-4H-1,4-benzoxazin-3-one, and it is characterized by its white to off-white crystalline powder form. With a molecular weight of 182.15 g/mol, this compound is soluble in organic solvents such as DMSO and methanol, but exhibits limited solubility in water. Ideal for medicinal chemistry applications, it is supplied with comprehensive analytical data including HPLC, NMR, and MS to ensure quality and consistency for research use.

Properties

• CAS Number: 112748-06-8
• Complexity: 224
• IUPAC Name: 6-amino-7-fluoro-4H-1,4-benzoxazin-3-one
• InChI: InChI=1S/C8H7FN2O2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3,10H2,(H,11,12)
• InChI Key: LWMAFJZTZAMNGG-UHFFFAOYSA-N
• Exact Mass: 182.04915563
• Molecular Formula: C8H7FN2O2
• Molecular Weight: 182.15
• SMILES: C1C(=O)NC2=C(O1)C=C(C(=C2)N)F
• Topological: 64.4
• Monoisotopic Mass: 182.04915563
• Synonyms: 7-Fluoro-6-amino-2H-1,4-benzoxazin-3(4H)-one, 112748-06-8, 6-amino-7-fluoro-4H-1,4-benzoxazin-3-one, 6-amino-7-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-amino-7-fluoro-2H-1,4-benzoxazin-3(4H)-one, SCHEMBL7868455, DTXSID40437992, LWMAFJZTZAMNGG-UHFFFAOYSA-N, MFCD19440781, DB-350376, F97719, 7-fluoro-6-amino-2H-1,4-benzoxazin-3-(4H)-one

Application

7-Fluoro-6-amino-2H-1,4-benzoxazin-3(4H)-one serves as a key synthetic intermediate in the development of novel bioactive molecules, particularly in pharmaceutical research targeting CNS disorders and antimicrobial agents. Its fluorinated benzoxazine scaffold is utilized in structure-activity relationship (SAR) studies to optimize drug potency and metabolic stability. Researchers also employ this compound in the synthesis of herbicides and fungicides due to its heterocyclic reactivity. Additionally, it is investigated for its potential as a precursor in the design of fluorescent probes and agrochemicals.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.