3-Nitrobenzophenone

Base Information

• Chemical Name: 3-Nitrobenzophenone
• CAS No.: 2243-80-3
• Molecular Formula: C13H9NO3
• Molecular Weight: 227.219
• Hs Code.: 2914700090
• European Community (EC) Number: 218-819-9
• NSC Number: 37083
• DSSTox Substance ID: DTXSID80176959
• Nikkaji Number: J96.222H
• Wikidata: Q63409654
• Mol file: 2243-80-3.mol

Synonyms:3-Nitrobenzophenone;2243-80-3;(3-Nitrophenyl)(phenyl)methanone;m-Nitrobenzophenone;(3-nitrophenyl)-phenylmethanone;Methanone,(3-nitrophenyl)phenyl-;EINECS 218-819-9;3-nitrophenyl phenyl ketone;NSC37083;3-Nitro-benzophenon;Maybridge1_001668;3-Nitrobenzophenone, 97%;Oprea1_338366;SCHEMBL333455;HMS546D18;AML0007;DTXSID80176959;(3-Nitrophenyl)(phenyl)methanone #;BBL104220;CCG-46074;MFCD00007257;NSC 37083;NSC-37083;STL089905;Methanone, (3-nitrophenyl)(phenyl)-;AKOS000282648;AS-48441;CS-0199373;FT-0616244;EN300-56955;F31014;SR-01000635797-1;W-206761;Q63409654;Z827754970

Chemical Property of 3-Nitrobenzophenone

Chemical Property:

• Appearance/Colour: tan to light brown crystalline powder
• Vapor Pressure: 6.52E-06mmHg at 25°C
• Melting Point: 92-94 °C
• Refractive Index: 1.614
• Boiling Point: 377.916 °C at 760 mmHg
• Flash Point: 181.939 °C
• PSA: 62.89000
• Density: 1.267 g/cm₃
• LogP: 3.34900
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.058243149
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

3-Nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
• Uses: 3-Nitrobenzophenone was used as starting reagent in the synthesis of ketoprofen, non-steroidal anti inflammatory drug. It was also used as plastic additive and its role in photolytic degradation of polyethylene and polypropylene in solution has been investigated.

Technology Process of 3-Nitrobenzophenone

There total 76 articles about 3-Nitrobenzophenone 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: 92.0%

(3-nitrophenyl)phenylmethanol (55095-33-5,120977-08-4,120977-09-5) → 3-nitrobenzophenone (2243-80-3)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.0666667h; Microwave irradiation;

DOI:10.33224/rrch.2020.65.3.08

Reference yield: 92.0%

3-nitrobenzonitrile (619-24-9) + phenylboronic acid (98-80-6) → 3-nitrobenzophenone (2243-80-3)

Guidance literature:

[Pd(μ-OH)(2,2'-bipyridine)]2(OSO2CF3)2; In nitromethane; for 24h; Heating;

DOI:10.1021/ol062438v

Reference yield: 91.0%

sodium tetraphenyl borate (143-66-8) + m-nitrobenzoic acid chloride (121-90-4) → 3-nitrobenzophenone (2243-80-3)

Guidance literature:

With aluminum oxide; bis-triphenylphosphine-palladium(II) chloride; potassium fluoride; In acetone; for 0.0833333h; MW-irradiation;

DOI:10.1246/bcsj.75.1381

upstream raw materials:

3-nitro-benzaldehyde

triphenylaluminium

pyridin-2-yl 3-nitrobenzoate

phenylboronic acid

Downstream raw materials:

3-amino benzophenone

3-benzylaniline

dichloro-(3-nitro-phenyl)-phenyl-methane

3,3''-azo-di-benzophenone

Refernces

• 1、 AHMADI, Sayed Ali,GHALEHBANDI, Shermineh Sadat,GHAZANFARI, Dadkhoda,SHEIKHHOSSEINI, Enayatollah. "Solvent-free, microwave assisted oxidation of alcohols with 4-hydroxypyridinium chlorochromate functionalized silica gel". . p. 283 - 289. Retrieved 2020/10/06.
• 2、 Muniyappan, Nalluchamy,Sabiah, Shahulhameed. "Synthesis, structure, and characterization of picolyl- and benzyl-linked biphenyl palladium N-heterocyclic carbene complexes and their catalytic activity in acylative cross-coupling reactions". . . Retrieved 2020/01/28.