2-Nitrobenzanthrone

Base Information

• Chemical Name: 2-Nitrobenzanthrone
• CAS No.: 111326-48-8
• Molecular Formula: C₁₇H₉NO₃
• Molecular Weight: 275.263
• European Community (EC) Number: 634-574-4
• ChEMBL ID: CHEMBL412430
• DSSTox Substance ID: DTXSID401346172
• Nikkaji Number: J907.763D
• Mol file: 111326-48-8.mol

Synonyms:2-nitrobenzanthrone;3-nitrobenzanthrone;nitrobenzanthrone

Chemical Property of 2-Nitrobenzanthrone

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 275.058243149
• Heavy Atom Count: 21
• Complexity: 457

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=CC(=C3)[N+](=O)[O-])C=CC=C4C2=O

Technology Process of 2-Nitrobenzanthrone

There total 4 articles about 2-Nitrobenzanthrone 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%

7H-benz[d,e]anthracene-7-one (82-05-3) → 3-nitrobenzanthrone (17117-34-9) + 9-nitrobenzanthrone (38156-99-9) + 2-nitrobenzanthrone (111326-48-8) + 2-hydroxy-2,3-dinitro-2,3-dihydro-7H-benz[d,e]anthracen-7-one

Guidance literature:

With Nitrogen dioxide; In tetrachloromethane; at 20 ℃;

DOI:10.1246/bcsj.71.2221

Reference yield:

7H-benz[d,e]anthracene-7-one (82-05-3) → 3-nitrobenzanthrone (17117-34-9) + 9-nitrobenzanthrone (38156-99-9) + 2-nitrobenzanthrone (111326-48-8) + 1,3-dinitrobenzanthrone

Guidance literature:

With dinitrogen tetraoxide; Nitrogen dioxide; In dichloromethane; at 0 ℃; Further byproducts given;

DOI:10.1246/bcsj.71.2221

Reference yield:

7H-benz[d,e]anthracene-7-one (82-05-3) → 3-nitrobenzanthrone (17117-34-9) + 2-nitrobenzanthrone (111326-48-8)

Guidance literature:

With nitric acid; acetic acid;

upstream raw materials:

7H-benz[d,e]anthracene-7-one

nitric acid

acetic acid