4-Chloro-4'-nitrobenzophenone

Base Information

• Chemical Name: 4-Chloro-4'-nitrobenzophenone
• CAS No.: 7497-60-1
• Molecular Formula: C13H8 Cl N O3
• Molecular Weight: 261.664
• Hs Code.: 2914700090
• European Community (EC) Number: 616-175-7
• NSC Number: 406624
• DSSTox Substance ID: DTXSID60324395
• Nikkaji Number: J1.912.167D
• Wikidata: Q82084018
• Mol file: 7497-60-1.mol

Synonyms:4-Chloro-4'-nitrobenzophenone;7497-60-1;(4-chlorophenyl)(4-nitrophenyl)methanone;(4-chlorophenyl)-(4-nitrophenyl)methanone;Methanone,(4-chlorophenyl)(4-nitrophenyl)-;4'-chloro-4-nitrobenzophenone;MFCD00047743;4-nitro-4'-chlorobenzophenone;NSC 406624;NSC406624;Oprea1_296759;SCHEMBL1810147;DTXSID60324395;STK266254;4-chlorophenyl-4-nitrophenyl-methanone;AKOS001482634;NSC-406624;AS-10651;SY130681;AM20080762;CS-0197411;FT-0636508;Methanone, (4-chlorophenyl)(4-nitrophenyl)-;Y11169;A838288;4-Chloro-4 inverted exclamation mark -nitrobenzophenone

Chemical Property of 4-Chloro-4'-nitrobenzophenone

Chemical Property:

• Vapor Pressure: 1.85E-07mmHg at 25°C
• Boiling Point: 425.9 °C at 760 mmHg
• Flash Point: 211.4 °C
• PSA: 62.89000
• Density: 1.367 g/cm³
• LogP: 4.00240
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.0192708
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-4'-nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-4'-nitrobenzophenone

There total 33 articles about 4-Chloro-4'-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: 98.0%

p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) + (4-chlorophenyl)trimethylstannane (14064-15-4) → (4-Chlorophenyl)(4-nitrophenyl)methanone (7497-60-1)

Guidance literature:

bis(η3-allyl-μ-chloropalladium(II)); In N,N,N,N,N,N-hexamethylphosphoric triamide; at 20 ℃; for 3h;

Reference yield: 96.0%

tris(4-chlorophenyl)bismuthane (5575-51-9) + 4-nitro-benzoyl chloride (122-04-3) → (4-Chlorophenyl)(4-nitrophenyl)methanone (7497-60-1)

Guidance literature:

With tributyl-amine; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201201432

Reference yield: 92.5%

4-nitro-benzoyl chloride (122-04-3) + chlorobenzene (108-90-7) → (4-Chlorophenyl)(4-nitrophenyl)methanone (7497-60-1)

Guidance literature:

at 260 ℃;

upstream raw materials:

1-chloro-4-(4-nitrobenzyl)benzene

4-nitro-benzoyl chloride

chlorobenzene

p-nitrobenzene iodide

Downstream raw materials:

4-chloro-3,4'-dinitro benzophenone

4-amino-4'-chlorobenzophenone

2-[4-(4-Chloro-benzoyl)-phenyl]-2-phenyl-butyronitrile

2-[4-(4-Chloro-benzoyl)-phenyl]-2-phenyl-pentanenitrile