15264-44-5

Basic information

• Product Name: 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)
• Synonyms: 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI);6-Nitro-2,1-benzisoxazole;6-Nitroanthranil;6-Nitroanthroxan;6-nitrobenzo[c]isoxazole;6-nitro-2,1-benzoxazole;MFCD07022076
• CAS NO: 15264-44-5
• Molecular Formula: C₇H₄N₂O₃
• Molecular Weight: 164.12
• Product Categories: OXAZOLE
• Mol File: 15264-44-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 328.7°C at 760 mmHg
• Flash Point: 152.6°C
• Appearance: /
• Density: 1.473g/cm³
• Vapor Pressure: 0.000355mmHg at 25°C
• Refractive Index: 1.658
• CAS DataBase Reference: 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)(15264-44-5)
• EPA Substance Registry System: 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI)(15264-44-5)

Safety Data

• Hazardous Substances Data: 15264-44-5(Hazardous Substances Data)

Usage

General Description

2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI) is a chemical compound with the molecular formula C7H4N2O3. It is a heterocyclic aromatic compound that contains a benzene ring fused to an oxazole ring with a nitro group attached at the 6-position. 2,1-Benzisoxazole,6-nitro-(7CI,8CI,9CI) is used in the synthesis of various pharmaceuticals and organic compounds due to its versatile reactivity and functional groups. It has potential applications in the fields of medicine, agriculture, and materials science. Additionally, it may also possess biological activity and could be studied for its potential pharmacological properties.

InChI:InChI=1/C7H4N2O3/c10-9(11)6-2-1-5-4-12-8-7(5)3-6/h1-4H

Upstream product

• 528-75-6 2,4-dinitrobenzaldehyde 
• 2200-86-4 1-(2,4-dinitrophenyl)propan-2-one 
• 121-14-2 2,4-dinitrotoluene 

Downstream Products

• 83516-92-1 6-Phenyl-6H-5a-nitro-5a,6a-dihydro<5,6>cyclopropabenzo<1,2-c>isoxazole 
• 83516-91-0 6-Nitro-7-diphenylmethyl-2,1-benzisoxazole 
• 983-79-9 benzophenone azine 

Relevant articles and documents

Pd-Catalyzed Dearomatization of Anthranils with Vinylcyclopropanes by [4+3] Cyclization Reaction

Dearomatization of anthranils with vinylcyclopropanes (VCPs) by Pd-catalyzed [4+3] cyclization reaction has been realized. In the presence of a catalytic amount of borane as an activator, bridged cyclic products were obtained in good to excellent yields with excellent stereoselectivities. By introducing a chiral PHOX ligand (L5), asymmetric dearomatization reactions of anthranils with vinylcyclopropanes proceeded with excellent enantioselectivity. Borane plays a key role for the reactivity, likely owing to the formation of a borane–anthranil complex which has been confirmed by NMR experiments.

Thermal Stability Studies on a Homologous Series of Nitroarenes

The thermal stabilities of a number of nitroarenes were examined in solution and in condensed phase.In general, increasing the number of nitro groups decreased thermal stability.Changing the substituent on 1-X-2,4,6-trinitrobenzene from X = H to NH2 to CH3 to OH accelerated decomposition; this effect was attributed to increased ease of intramolecular proton transfer to an ortho nitro group, thus weakening the carbon-nitrogen bond.In solution, the effect of increasing substitution from n = 1 to n = 3 on Xn(NO2)3C6H3-n was uniformly that of decreasing the thermal stability of the species.However, in condensed phase, results suggested that crystal habit may be more important than molecular structure; for X = Br, CH3, and NH2, the more substituted species was the more stable.