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
• Article Data: 32

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

General Description

7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE, also known as nitro benzoxazinone, is a chemical compound with the molecular formula C7H4N2O4. It is a pale yellow crystalline solid with a high melting point, and is commonly used as a precursor in the synthesis of pharmaceuticals and agrochemicals. It is known for its diverse range of biological activities, such as anti-inflammatory, anti-bacterial, and anti-cancer properties. Due to its potential therapeutic applications, 7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE is of interest to researchers in the fields of medicinal chemistry and pharmaceutical development.

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

Downstream Products

• 26215-14-5 7-amino-2H-1,4-benzoxazin-3(4H)-one 
• 852233-49-9 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile 
• 120711-81-1 3,4-dihydro-7-nitro-2H-1,4-benzoxazine 
• 329229-31-4 3,4-dihydro-4-(p-methoxybenzyl)-7-nitro-2H-1,4-benzoxazine 
• 329229-32-5 7-amino-3,4-dihydro-4-(p-methoxybenzyl)-2H-1,4-benzoxazine 
• 220844-82-6 4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-ylamine 
• 575474-01-0 3,4-dihydro-2H-1,4-benzoxazin-7-amine 
• 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 
• 1449515-87-0 4-(4-methoxybenzyl)-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 1449515-88-1 7-amino-4-(4-methoxybenzyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 1449514-92-4 4-(4-methoxybenzyl)-7-(1-methyl-1H-imidazo[4,5-c]pyridin-6-ylamino)-2H-benzo[b][1,4]oxazin-3(4H)-one 

Relevant articles and documents

Synthesis and characterization of novel benzoxazine-based arylidinyl succinimide derivatives

1,4-Benzoxazine skeleton holds substantial promise for further exploration owing to its immense pharmacological potential. In this pursuit, a series of 20 novel benzoxazine-based arylidinyl succinimide derivatives (23–42) were synthesized in moderate to g

Tricyclic compound as BRPF1 inhibitor

The invention discloses a BRPF1 inhibitor shown as a formula I, and belongs to the field of compound medicines. The tricyclic compound provided by the invention has a very strong binding effect on a BRPF1 structural domain; the compound can be used as a B

Design and Synthesis of Novel Triazolyl Benzoxazine Derivatives and Evaluation of Their Antiproliferative and Antibacterial Activity

A series of novel triazolyl benzoxazine derivatives have been synthesized via Cu(I)-catalyzed ‘Click’ cycloaddition. All of the compounds were fully characterized from their spectral data, and their antiproliferative activity was evaluated against three selected human cancer cell lines: cervical cancer cells (HeLa), colorectal adenocarcinoma (HT-29), and ovarian adenocarcinoma (SKOV-3). A few representative compounds have also been evaluated for their antibacterial potential against two bacterial strains Pseudomonas aeruginosa and Bacillus subtilis.