7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one

Base Information

Chemical Name:7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one
CAS No.:40728-79-8
Molecular Formula:C₁₄H₇ClN₂O₄
Molecular Weight:302.674
Hs Code.:
European Community (EC) Number:653-911-6
NSC Number:176314
DSSTox Substance ID:DTXSID50961152
Nikkaji Number:J308.216D
Wikidata:Q82942494
Mol file:40728-79-8.mol

Synonyms:40728-79-8;7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one;NSC176314;Oprea1_459399;Oprea1_710277;SCHEMBL914201;DTXSID50961152;BDBM222135;AKOS000642649;NSC-176314;AB00095849-01;7-Chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one (25);5754-28-9

Suppliers and Price of 7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
7-CHLORO-2-(4-NITROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE Aldrich
1ea
$ 57.00

American Custom Chemicals Corporation
7-CHLORO-2-(4-NITROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE 95.00%
5MG
$ 498.26

Total 3 raw suppliers

Chemical Property of 7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one

Chemical Property:

Vapor Pressure:5.85E-09mmHg at 25°C
Boiling Point:468.7°Cat760mmHg
PKA:-1.13±0.20(Predicted)
Flash Point:237.3°C
PSA：88.92000
Density:1.54g/cm³
LogP:3.93980
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:302.0094344
Heavy Atom Count:21
Complexity:468

Purity/Quality:: 7-CHLORO-2-(4-NITROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)Cl)C(=O)O2)[N+](=O)[O-]

Technology Process of 7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one

There total 2 articles about 7-chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one 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: 88.0%

: C₁₄H₇ClN₄O₅

: 40728-79-8
7-Chloro-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one

Guidance literature:: With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate); triphenylphosphine; In toluene; for 4h; chemoselective reaction; Reflux;
DOI:10.1021/acscatal.6b00165