6-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE

• CAS: 81721-87-1
• Catalog Number: ACM81721871
• Category: Other Products
• Molecular Weight: 194.14
• Molecular Formula: C8H6N2O4
• Synonyms: 6-Nitro-2H-1,4-benzoxazin-3(4H)-one, 81721-87-1, 6-Nitro-4H-benzo[1,4]oxazin-3-one, 6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-nitro-4H-1,4-benzoxazin-3-one, SBB056033, 6-nitro-2,4-dihydro-1,4-benzoxazin-3-one, 6-nitro-2H,4H-benzo[e]1,4-oxazin-3-one, 6-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one, ZINC00168432, AC1MC8NY, ACMC-209pm5, SureCN304014, AC1Q1Y6Q, 662313_ALDRICH, CTK3E4071, MolPort-002-344-153, ANW-37467, STK661392, AKOS001299198
• IUPAC Name: 6-nitro-4H-1,4-benzoxazin-3-one
• Canonical SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-]
• InChI Key: UNYXDJBNODSRRC-UHFFFAOYSA-N
• Boiling Point: 424.3ºC at 760 mmHg
• Melting Point: 236-240ºC
• Flash Point: 210.4ºC
• Density: 1.474g/cm³
• Exact Mass: 194.03300
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Safety Description: 26-36

Synthetic Use

Upstream Synthesis Route 1

• 79-04-9
• 99-57-0

• 81721-87-1

Reference: [1] Patent: US2010/160373, 2010, A1, . Location in patent: Page/Page column 30

Upstream Synthesis Route 2

• 598-21-0
• 99-57-0

• 81721-87-1

Reference: [1] Patent: US2006/194801, 2006, A1, . Location in patent: Page/Page column 49

Downstream Synthesis Route 1

• 81721-87-1

• 89976-75-0

Reference: [1] ChemCatChem, 2014, vol. 6, # 11, p. 3153 - 3159

Downstream Synthesis Route 2

• 81721-87-1
• 74-88-4

• 103361-68-8

Reference: [1]Patent: US2010/160373,2010,A1 .Location in patent: Page/Page column 30

Downstream Synthesis Route 3

• 81721-87-1

• 89976-75-0

Reference: [1]ChemCatChem,2014,vol. 6,p. 3153 - 3159

Downstream Synthesis Route 4

• 81721-87-1

• 81912-93-8

Reference: [1]Patent: US2018/110873,2018,A1 .Location in patent: Paragraph 0337; 0338

* For details of the synthesis route, please refer to the original source to ensure accuracy.