Description

6-Bromo-2H-1,4-benzoxazin-3(4H)-one (CAS No. 24036-52-0) is a high-purity heterocyclic organic compound with the molecular formula C₈H₆BrNO₂. This brominated benzoxazinone derivative is a valuable synthetic intermediate widely used in pharmaceutical research, agrochemical development, and material science applications. The compound features a benzoxazinone core structure with a bromine substituent at the 6-position, offering unique reactivity for further functionalization. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a crystalline solid with full characterization data including ¹H NMR, ¹³C NMR, and mass spectrometry. Suitable for use in medicinal chemistry, cross-coupling reactions, and as a building block for more complex heterocyclic systems. Packaged under inert atmosphere to ensure stability and long shelf life.

Properties

• CAS Number: 24036-52-0
• Complexity: 197
• IUPAC Name: 6-bromo-4H-1,4-benzoxazin-3-one
• InChI: InChI=1S/C8H6BrNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
• InChI Key: UQCFMEFQBSYDHY-UHFFFAOYSA-N
• Exact Mass: 226.95819
• Molecular Formula: C8H6BrNO2
• Molecular Weight: 228.04
• SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)Br
• Topological: 38.3
• Monoisotopic Mass: 226.95819
• Synonyms: 6-Bromo-2H-1,4-benzoxazin-3(4H)-one, 24036-52-0, DTXSID80584777, DTXCID80535542, 627-990-2, 6-bromo-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-Bromo-3-oxo-4H-benzo[1,4]oxazine, 6-bromo-4H-1,4-benzoxazin-3-one, 6-Bromo-1,4-benzoxazin-3-one, MFCD00461173, 6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-BROMO-4H-BENZO[1,4]OXAZIN-3-ONE, 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-, 6-Bromo-(2H)-1,4-benzoxazin-3(4H)-one; 6-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one; 6-Bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one; 6-Bromo-4H-benzo[1,4]oxazin-3-one, 6-Bromo-2H-[1,4]benzoxazin-3(4H)-one, SCHEMBL299079, UQCFMEFQBSYDHY-UHFFFAOYSA-N, AKOS005198604, AB06108, CS-W013002, FS-2439, AC-23214, SY007660, 6-bromo-(2h)-1,4-benzoxazin-3(4h)-one, B4402, EN300-26604, 6-Bromo-2H-1,4-benzoxazin-3(4H)-one, 97%, Z227266368

Application

6-Bromo-2H-1,4-benzoxazin-3(4H)-one serves as a key intermediate in the synthesis of biologically active compounds, particularly in the development of novel pharmaceutical agents targeting neurological disorders. The bromine moiety allows for efficient palladium-catalyzed cross-coupling reactions, making it valuable for structure-activity relationship studies. Researchers utilize this compound in the preparation of benzoxazine derivatives with potential antimicrobial and anti-inflammatory properties. Its rigid heterocyclic structure also finds application in materials science as a precursor for functionalized organic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (88.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.7%)

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.