116862-22-7

Basic information

• Product Name: 6-CHLORO-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
• Synonyms: 6-chloro-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one;6-chloro-7-nitro-4H-1,4-benzoxazin-3-one
• CAS NO: 116862-22-7
• Molecular Formula: C₈H₅ClN₂O₄
• Molecular Weight: 228.59
• Mol File: 116862-22-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: >250 °C(Solv: acetone (67-64-1))
• Boiling Point: 448.8±45.0 °C(Predicted)
• Appearance: /
• Density: 1.591±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 10.35±0.20(Predicted)
• CAS DataBase Reference: 6-CHLORO-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE(116862-22-7)
• EPA Substance Registry System: 6-CHLORO-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE(116862-22-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 116862-22-7(Hazardous Substances Data)

Usage

General Description

6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one is a chemical compound with a molecular formula of C8H4ClN3O4. It is a nitrobenzoxazine derivative that contains a benzoxazine core structure, which consists of a benzene ring fused to an oxazine ring. 6-CHLORO-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE is a yellow solid with a melting point of 289-290°C and is sparingly soluble in water. It has potential applications in the field of organic synthesis and pharmaceuticals due to its unique structure and properties. Additionally, it may be used as a building block for the synthesis of more complex organic molecules.

Upstream product

• 7652-29-1 6-chloro-2H-1,4-benzoxazin-3(4H)-one 
• 6358-07-2 2-amino-4-chloro-5-nitrophenol 
• 105-36-2 ethyl bromoacetate 

Downstream Products

• 116862-36-3 7-Nitro-6-(4-phenyl-piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one 
• 116862-37-4 6-(4-Benzyl-piperazin-1-yl)-7-nitro-4H-benzo[1,4]oxazin-3-one 
• 116862-25-0 6-(3-Methoxy-phenylsulfanyl)-7-nitro-4H-benzo[1,4]oxazin-3-one 
• 116862-23-8 7-Nitro-6-phenylsulfanyl-4H-benzo[1,4]oxazin-3-one 
• 123282-06-4 4-Benzyl-6-chloro-7-nitro-4H-benzo[1,4]oxazin-3-one 
• 123282-07-5 6-Chloro-4-(4-methyl-benzyl)-7-nitro-4H-benzo[1,4]oxazin-3-one 
• 123282-26-8 4-Benzyl-4,8-dihydro-1-oxa-5-thia-4,8-diaza-anthracene-3,7-dione 
• 123282-28-0 4-(4-Methyl-benzyl)-4,8-dihydro-1-oxa-5-thia-4,8-diaza-anthracene-3,7-dione 
• 123282-27-9 4-Benzyl-6-methyl-4,8-dihydro-1-oxa-5-thia-4,8-diaza-anthracene-3,7-dione 
• 123282-33-7 4-Benzyl-4,7,8,10-tetrahydro-1-oxa-6-thia-4,10-diaza-cyclohepta[b]naphthalene-3,9-dione 
• 123282-29-1 6-Methyl-4-(4-methyl-benzyl)-4,8-dihydro-1-oxa-5-thia-4,8-diaza-anthracene-3,7-dione 
• 123282-19-9 3-(7-Amino-4-benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylsulfanyl)-propionic acid 
• 123282-11-1 2-(4-Benzyl-7-nitro-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylsulfanyl)-propionic acid 
• 123282-15-5 3-(4-Benzyl-7-nitro-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylsulfanyl)-propionic acid 

Relevant articles and documents

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Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same

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The bromination and nitration of some (2H)-1,4-benzoxazin-3(4H)-ones

Bromination of (2H)-1,4-benzoxazin-3-(4H)-one with bromine in glacial acetic acid gave firstly the 6-bromo and then the 6,7-dibromo compound whilst bromine in chloroform gave mainly the 7-bromo derivative. Bromination of the 6-chloro- and 6-methyl-(2H)-1,4-benzoxazin-3(4H)-ones and (2H)=1,4-benzothiazin-3(4H)-one gave the 7-bromo compounds. Nitration of (2H)-1,4-benzoxazin-3(4H)-one with a sulfuric acid : nitric acid mixture gave the 6-nitro and then 6,8-dinitro compound whilst nitrosation: nitration with sodium nitrite : fuming nitric acid gave mainly the 7-nitro compound. 6-Chloro-(2H)-1,4-benzoxazin-3(4H)-one gave 7-nitro compound.