3,3'-Dinitrobenzophenone

Base Information

• Chemical Name: 3,3'-Dinitrobenzophenone
• CAS No.: 21222-05-9
• Molecular Formula: C13H8 N2 O5
• Molecular Weight: 272.217
• Hs Code.: 29147000
• European Community (EC) Number: 626-551-2
• NSC Number: 86515
• DSSTox Substance ID: DTXSID50175459
• Nikkaji Number: J149.478C
• Wikidata: Q83045802
• Mol file: 21222-05-9.mol

Synonyms:Bis(3-nitrophenyl)methanone;3,3'-Dinitrobenzophenone;21222-05-9;Methanone, bis(3-nitrophenyl)-;NSC86515;3,3/'-Dinitrobenzophenone;NCIOpen2_004917;Oprea1_414356;3,3//'-Dinitrobenzophenone;SCHEMBL181572;Bis(3-nitrophenyl)methanone #;DTXSID50175459;3,3'-Dinitrobenzophenone, 96%;3,3'-DINITRO BENZOPHENONE;BENZOPHENONE,3,3'-DINITRO;AMY31772;MFCD00039740;NSC 86515;NSC-86515;SC5080;STK676910;AKOS005594372;AKOS015889371;Methanone, bis(3-nitrophenyl)- (9CI);AS-59117;CS-0156984;D1688;FT-0614086;AE-641/00008056;J-013928

Chemical Property of 3,3'-Dinitrobenzophenone

Chemical Property:

• Melting Point: 153-155°C
• Boiling Point: 458.4°Cat760mmHg
• Flash Point: 229.1°C
• PSA: 108.71000
• Density: 1.423g/cm³
• LogP: 3.78040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 272.04332136
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3''-Dinitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,3'-Dinitrobenzophenone

There total 28 articles about 3,3'-Dinitrobenzophenone 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: 93.0%

m-iodonitrobenzene (645-00-1) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → 3,3'-dinitrobenzophenone (21222-05-9)

Guidance literature:

With potassium carbonate; In ethanol; at 75 ℃; for 8h;

DOI:10.1080/00958972.2020.1861257

Reference yield: 90.0%

benzophenone (119-61-9) → 3,3'-dinitrobenzophenone (21222-05-9)

Guidance literature:

With sulfuric acid; nitric acid; at 75 ℃; for 0.5h;

Reference yield: 78.0%

bis(3-nitrophenyl)methanone oxime (303756-75-4) → 3,3'-dinitrobenzophenone (21222-05-9)

Guidance literature:

With perchloric acid; dihydrogen peroxide; potassium bromide; ammonium molybdate tetrahydrate; In water; at 20 ℃; for 7h;

DOI:10.1055/s-2008-1032035

upstream raw materials:

benzophenone

1,1-dichloro-2,2-bis-(3-nitro-phenyl)-ethene

3-nitrobenzophenone

carbon monoxide

Downstream raw materials:

3,3-bis (3-Nitrophenyl)-2-propenal

1-Chloro-2,2-bis(3-nitrophenyl)-1-phenylethene

3-nitrobenzoic acid

Bis(3-nitrophenyl)dimethoxymethane

Refernces

• 1、 Niakan, Mahsa,Asadi, Zahra,Khosrozadeh, Fatemeh. "Palladium imine-pyridine-imine complex immobilized on graphene oxide as a recyclable catalyst for the carbonylative homo-coupling of aryl halides". . p. 850 - 863. Retrieved 2020/12/18.
• 2、 Ren, Long,Jiao, Ning. "Pd/Cu-cocatalyzed aerobic oxidative carbonylative homocoupling of arylboronic acids and CO: A highly selective approach to diaryl ketones". supporting information. p. 2411 - 2414. Retrieved 2014/10/15.