81721-86-0

Basic information

• Product Name: 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
• Synonyms: 7-NITRO-4H-BENZO[1,4]OXAZIN-3-ONE;7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE;7-Nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
• CAS NO: 81721-86-0
• Molecular Formula: C₈H₆N₂O₄
• Molecular Weight: 194.14
• Mol File: 81721-86-0.mol

Chemical Properties

• Melting Point: 232-234°C
• Boiling Point: 429.4 °C at 760 mmHg
• Flash Point: 213.5 °C
• Appearance: /
• Density: 1.474 g/cm³
• Vapor Pressure: 1.4E-07mmHg at 25°C
• Refractive Index: 1.606
• Storage Temp.: 2-8°C
• PKA: 11.23±0.20(Predicted)
• CAS DataBase Reference: 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE(81721-86-0)
• EPA Substance Registry System: 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE(81721-86-0)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 81721-86-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE is used as a precursor in the synthesis of various pharmaceuticals for its potential therapeutic applications. Its anti-inflammatory, anti-bacterial, and anti-cancer properties make it a valuable compound in the development of new drugs targeting a range of health conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE serves as a starting material for the creation of various agrochemicals. Its biological activities can be harnessed to develop products that protect crops from diseases and pests, thereby increasing agricultural productivity.
Used in Medicinal Chemistry Research:
7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE is utilized as a subject of study in medicinal chemistry research. Scientists explore its structure-activity relationships and potential mechanisms of action to understand its biological activities better and to design more effective drugs based on its chemical properties.
Used in Drug Development:
As a compound with demonstrated anti-cancer properties, 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE is used in drug development to create novel therapeutic agents. Its potential to modulate various biological pathways involved in cancer makes it a promising candidate for the treatment of different types of cancer.

InChI:InChI=1/C8H6N2O4/c11-8-4-14-7-3-5(10(12)13)1-2-6(7)9-8/h1-3H,4H2,(H,9,11)

Upstream product

• 79-04-9 chloroacetyl chloride 
• 97-52-9 2-methoxy-4-nitrophenylamine 
• 105-36-2 ethyl bromoacetate 
• 121-88-0 5-Nitro-2-aminophenol 
• 95-55-6 2-amino-phenol 
• 96-32-2 bromoacetic acid methyl ester 
• 5466-88-6 3,4-dihydro-3-oxo-2H-1,4-benzoxazine 
• 128201-57-0 2-chloro-N-(2-hydroxy-4-nitrophenyl)acetamide 

Downstream Products

• 120711-81-1 3,4-dihydro-7-nitro-2H-1,4-benzoxazine 
• 120101-66-8 7-nitro-4-(pyridin-2-ylmethyl)-2H-1,4-benzoxazin-3(4H)-one 
• 128201-57-0 2-chloro-N-(2-hydroxy-4-nitrophenyl)acetamide 
• 141068-81-7 7-amino-4-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 96780-81-3 C₁₅H₁₃N₅O₃S 
• 81946-65-8 3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2H-benzo[1,4]oxazin-7-ylamine 
• 81946-64-7 3-(4-Phenyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-ylamine 
• 81946-63-6 N³-Methyl-N³-phenyl-2H-benzo[1,4]oxazine-3,7-diamine 
• 81946-36-3 {3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2H-benzo[1,4]oxazin-7-yl}-carbamic acid methyl ester 
• 81946-49-8 N'-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2H-benzo[1,4]oxazin-7-yl}-N,N-dimethyl-acetamidine 
• 81946-35-2 [3-(4-Phenyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-yl]-carbamic acid methyl ester 
• 81946-43-2 N'-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2H-benzo[1,4]oxazin-7-yl}-N,N-dimethyl-formamidine 
• 81946-58-9 3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-7-nitro-2H-benzo[1,4]oxazine 
• 81946-48-7 N,N-Dimethyl-N'-[3-(4-phenyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-yl]-acetamidine 

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