4-Chloro-4'-iodobenzophenone

Base Information

• Chemical Name: 4-Chloro-4'-iodobenzophenone
• CAS No.: 99847-42-4
• Molecular Formula: C13H8ClIO
• Molecular Weight: 342.563
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90569777
• Wikidata: Q82456999
• Mol file: 99847-42-4.mol

Synonyms:4-CHLORO-4'-IODOBENZOPHENONE;99847-42-4;(4-chlorophenyl)-(4-iodophenyl)methanone;(4-CHLOROPHENYL)(4-IODOPHENYL)METHANONE;MFCD02260373;Methanone, (4-chlorophenyl)(4-iodophenyl)-;SCHEMBL851491;DTXSID90569777;YMEUBHUXXVUFID-UHFFFAOYSA-N;AKOS009338673;(4-chloro-phenyl)-(4-iodo-phenyl)-methanone;A846090

Chemical Property of 4-Chloro-4'-iodobenzophenone

Chemical Property:

• Vapor Pressure: 1.17E-06mmHg at 25°C
• Boiling Point: 401.5oC at 760 mmHg
• Flash Point: 196.6oC
• PSA: 17.07000
• Density: 1.699g/cm3
• LogP: 4.17560
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 341.93084
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-4'-iodobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)I)Cl

Technology Process of 4-Chloro-4'-iodobenzophenone

There total 4 articles about 4-Chloro-4'-iodobenzophenone 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: 87.0%

chlorobenzene (108-90-7) + 4-iodobenzoic acid chloride (1711-02-0) → (4-chlorophenyl)(4-iodophenyl)methanone (99847-42-4)

Guidance literature:

With aluminium trichloride; at 70 ℃; for 3h;

DOI:10.1002/jlcr.2580361008

Reference yield: 63.0%

bromochlorobenzene (106-39-8) + 4-iodo-N,N-dimethylbenzamide (24167-53-1) → (4-chlorophenyl)(4-iodophenyl)methanone (99847-42-4)

Guidance literature:

bromochlorobenzene; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; toluene; at 25 ℃; for 0.0111111h; Inert atmosphere; Flow reactor;

4-iodo-N,N-dimethylbenzamide; In tetrahydrofuran; cyclohexane; toluene; at -20 ℃; Inert atmosphere;

DOI:10.1002/chem.202102805

Reference yield:

1,1-dichloro-2-(4-chloro-phenyl)-2-(4-iodo-phenyl)-ethene → (4-chlorophenyl)(4-iodophenyl)methanone (99847-42-4)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/ja01192a027

upstream raw materials:

chlorobenzene

4-iodobenzoic acid chloride

4-iodobenzoic acid ethyl ester

bromochlorobenzene

Downstream raw materials:

4-Chlor-4'-iod-diphenylmethan

(4-chlorophenyl)(4-iodophenyl)methanol

(RS)-2-(4-chloro-phenyl)-2-(4-iodo-phenyl)-oxirane

3-(4-chloro-phenyl)-3-hydroxy-3-(4-iodo-phenyl)propionitrile

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