3-Nitrobenzanthrone

Base Information

• Chemical Name: 3-Nitrobenzanthrone
• CAS No.: 17117-34-9
• Molecular Formula: C17H9 N O3
• Molecular Weight: 275.263
• Hs Code.: 2914700090
• UNII: O4OJW7BC7W
• DSSTox Substance ID: DTXSID60881271
• Nikkaji Number: J887.810B
• Wikipedia: 3-Nitrobenzanthrone
• Wikidata: Q3598796
• Mol file: 17117-34-9.mol

Synonyms:2-nitrobenzanthrone;3-nitrobenzanthrone;nitrobenzanthrone

Chemical Property of 3-Nitrobenzanthrone

Chemical Property:

• Vapor Pressure: 2.27E-10mmHg at 25°C
• Melting Point: 248ºC
• Boiling Point: 506.2°C at 760 mmHg
• Flash Point: 256.6°C
• PSA: 62.89000
• Density: 1.442g/cm³
• LogP: 4.48260
• 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:

99%, ^*data from raw suppliers

3-NITROBENZANTHRONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Nitrobenzanthrone

There total 15 articles about 3-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: 74.6%

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

Guidance literature:

With nitric acid; In nitrobenzene; at 50 ℃; for 3h;

Reference yield:

7H-benz[d,e]anthracene-7-one (82-05-3) → 3-nitrobenzanthrone (17117-34-9) + 9-nitrobenzanthrone (38156-99-9) + 11-nitrobenzanthrone (31536-41-1)

Guidance literature:

With Nitrogen dioxide; In dichloromethane; at 0 ℃;

DOI:10.1021/es961067i

upstream raw materials:

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

3-nitro-7-oxo-7H-benz[de]anthracene-11-carboxylic acid

nitric acid

acetic acid

Downstream raw materials:

3,9-dichloro-benz[de]anthracen-7-one

3-chloro-7H-benzo(de)anthracen-7-one

Refernces

• 1、 Enya, Takeji,Kawanishi, Masanobu,Suzuki, Hitomi,Matsui, Saburo,Hisamatsu, Yoshiharu. "An unusual DNA adduct derived from the powerfully mutagenic environmental contaminant 3-nitrobenzanthrone". . p. 1460 - 1467. Retrieved 1998.
• 2、 Fidler, Vlastimil,Kapusta, Peter,Nepras, Milos,Schroeder, Joerg,Rubtsov, Igor V.,Yoshihara, Keitaro. "Femtosecond fluorescence anisotropy kinetics as a signature of ultrafast electronic energy transfer in bichromophoric molecules". . p. 589 - 603. Retrieved 2007/10/03.