2,1-Benzisoxazole, 5-nitro-3-phenyl-

Base Information

Chemical Name:2,1-Benzisoxazole, 5-nitro-3-phenyl-
CAS No.:38735-62-5
Molecular Formula:C13H8N2O3
Molecular Weight:240.218
Hs Code.:
DSSTox Substance ID:DTXSID10458018
Wikidata:Q82281139

Synonyms:2,1-Benzisoxazole, 5-nitro-3-phenyl-;38735-62-5;DTXSID10458018

Suppliers and Price of 2,1-Benzisoxazole, 5-nitro-3-phenyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2,1-Benzisoxazole, 5-nitro-3-phenyl-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:240.05349212
Heavy Atom Count:18
Complexity:312

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)[N+](=O)[O-]

Technology Process of 2,1-Benzisoxazole, 5-nitro-3-phenyl-

There total 2 articles about 2,1-Benzisoxazole, 5-nitro-3-phenyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

: 1775-95-7
2-amino-5-nitrobenzophenone

: 38735-62-5
5-nitro-3-phenyl-2,1-benzisoxazole

Guidance literature:: With iodosylbenzene; In acetonitrile; at 20 ℃; for 4h;
DOI:10.1002/ejoc.202100756

Reference yield:

: 53879-06-4
(2-azido-5-nitrophenyl)(phenyl)methanone

: 38735-62-5
5-nitro-3-phenyl-2,1-benzisoxazole

Guidance literature:: In decalin; at 110.6 ℃; for 1.3h; Rate constant; Kinetics; Thermodynamic data; E_a, δS_a; also in presence of 2,6-di-t-butyl-4-methylphenol;