(2-Chlorophenyl)(3-chlorophenyl)methanone

Base Information

• Chemical Name: (2-Chlorophenyl)(3-chlorophenyl)methanone
• CAS No.: 77008-58-3
• Molecular Formula: C13H8Cl2O
• Molecular Weight: 251.10800
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40574452
• Wikidata: Q82463492
• Mol file: 77008-58-3.mol

Synonyms:77008-58-3;(2-Chlorophenyl)(3-chlorophenyl)methanone;2,3'-DICHLOROBENZOPHENONE;(2-chlorophenyl)-(3-chlorophenyl)methanone;MFCD09055155;SCHEMBL3179857;DTXSID40574452;CDA00858;AKOS010258672;BS-36190;CS-0331105;(3-Chloro-phenyl)-(2-chloro-phenyl)-methanone

Chemical Property of (2-Chlorophenyl)(3-chlorophenyl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 373.139oC at 760 mmHg
• Flash Point: 157.75oC
• PSA: 17.07000
• Density: 1.312g/cm3
• LogP: 4.22440
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.9952203
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

95% ^*data from raw suppliers

2,3'-Dichlorobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Chlorophenyl)(3-chlorophenyl)methanone

There total 5 articles about (2-Chlorophenyl)(3-chlorophenyl)methanone 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: 89.0%

2,3'-dichloro-benzhydrol (126517-23-5) → 2,3'-dichloro-benzophenone (77008-58-3)

Guidance literature:

With chromium(VI) oxide; In water; acetic acid; for 1.33333h; Heating;

Reference yield:

2-Chlorobenzonitrile (873-32-5) + (3-chlorophenyl)magnesium bromide (36229-42-2) → 2,3'-dichloro-benzophenone (77008-58-3)

Guidance literature:

With benzene; anschliessend Hydrolyse;

DOI:10.1021/ja01225a058

Reference yield:

1-bromo-3-chlorobenzene (108-37-2) → 2,3'-dichloro-benzophenone (77008-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Mg / THF, 5-10 deg C

2: 89 percent / CrO₃ / H₂O; acetic acid / 1.33 h / Heating

With chromium(VI) oxide; magnesium; In water; acetic acid;

upstream raw materials:

2-Chlorobenzonitrile

(3-chlorophenyl)magnesium bromide

2,3'-dichloro-benzhydrol

(2-amino-5-chloro-phenyl)-(2-chloro-phenyl)-methanone

Downstream raw materials:

2,3'-Dichlorobenzophenone O-(2-Dimethylaminoethyl)oxime

2,3'-Dichlorobenzophenone Oxime

Refernces

• 1、 Coffen,Schaer,Bizzarro,Cheung. "2-Benzazepines. 8. Zerovalent nickel mediated biaryl synthesis of an anxiolytic pyrimido[5,4-d][2]benzazepine". . p. 296 - 300. Retrieved 2007/10/02.