3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one

Base Information

Chemical Name:3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one
CAS No.:29980-75-4
Molecular Formula:C13H8 N4 O3
Molecular Weight:268.232
Hs Code.:
NSC Number:126113
DSSTox Substance ID:DTXSID30952402
Wikidata:Q82930990
Mol file:29980-75-4.mol

Synonyms:29980-75-4;3-(3-nitrophenyl)-1,2,3-benzotriazin-4(3h)-one;NSC126113;DTXSID30952402;NSC-126113

Suppliers and Price of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-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

Total 4 raw suppliers

Chemical Property of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one

Chemical Property:

Vapor Pressure:1.32E-08mmHg at 25°C
Boiling Point:459°Cat760mmHg
Flash Point:231.4°C
Density:1.49g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:268.05964013
Heavy Atom Count:20
Complexity:434

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(N=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one

There total 7 articles about 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-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: 80.0%

: 202137-01-7
3'-Nitroanthranilanilide

: 29980-75-4
3-(3-nitrophenyl)benzo[d][1,2,3]triazin-4(3H)-one

Guidance literature:: With iodine; sodium nitrite; In acetonitrile; at 80 ℃; for 3h;
DOI:10.1016/j.tetlet.2018.12.025

Reference yield:

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 29980-75-4
3-(3-nitrophenyl)benzo[d][1,2,3]triazin-4(3H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 3 h / 110 °C

2: triethylamine / dichloromethane / 2 h / 0 - 20 °C

3: sodium nitrite; iodine / acetonitrile / 3 h / 80 °C

With thionyl chloride; iodine; triethylamine; sodium nitrite; In dichloromethane; toluene; acetonitrile;
DOI:10.1016/j.tetlet.2018.12.025

Reference yield:

: 21563-73-5
2-aminobenzoyl chloride

: 29980-75-4
3-(3-nitrophenyl)benzo[d][1,2,3]triazin-4(3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 2 h / 0 - 20 °C

2: sodium nitrite; iodine / acetonitrile / 3 h / 80 °C

With iodine; triethylamine; sodium nitrite; In dichloromethane; acetonitrile;
DOI:10.1016/j.tetlet.2018.12.025