3,3',4'-Trichlorobenzophenone

Base Information

• Chemical Name: 3,3',4'-Trichlorobenzophenone
• CAS No.: 812684-89-2
• Molecular Formula: C13H7Cl3O
• Molecular Weight: 285.55
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10375291
• Wikidata: Q82163824
• Mol file: 812684-89-2.mol

Synonyms:3,3',4'-Trichlorobenzophenone;812684-89-2;(3-chlorophenyl)-(3,4-dichlorophenyl)methanone;DTXSID10375291;MFCD06201486;AKOS009377696;(3-chlorophenyl)(3,4-dichlorophenyl)methanone;(3-Chloro-phenyl)-(3,4-dichloro-phenyl)-methanone

Chemical Property of 3,3',4'-Trichlorobenzophenone

Chemical Property:

• Vapor Pressure: 4.64E-07mmHg at 25°C
• Melting Point: 119-120 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 413.9°C at 760 mmHg
• Flash Point: 174.8°C
• PSA: 17.07000
• Density: 1.403g/cm³
• LogP: 4.87780
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 283.956248
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

3,3',4'-Trichlorobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3',4'-Trichlorobenzophenone

There total 1 articles about 3,3',4'-Trichlorobenzophenone 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: 55.0%

m-Chlorobenzoyl chloride (618-46-2) + 1,2-dichloro-benzene (95-50-1) → 3,3',4-trichlorobenzophenone (812684-89-2)

Guidance literature:

With aluminium trichloride; at 120 ℃; for 3h;

DOI:10.1002/ejoc.200400335

Reference yield: 71.0%

ethylene glycol (107-21-1) + 3,3',4-trichlorobenzophenone (812684-89-2) → 2-(3-chloro-phenyl)-2-(3,4-dichloro-phenyl)-[1,3]dioxolane (812684-93-8)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 40h; Heating;

DOI:10.1002/ejoc.200400335

Reference yield:

3,3',4-trichlorobenzophenone (812684-89-2) → 2,3-dichloro-6-[2-(3-chloro-phenyl)-[1,3]dioxolan-2-yl]-benzenesulfonyl chloride

Guidance literature:

Multi-step reaction with 3 steps

1.1: 71 percent / p-toluenesulfonic acid / toluene / 40 h / Heating

2.1: butyllithium / hexane; tetrahydrofuran / 2 h / -78 °C

2.2: sulfur dioxide / tetrahydrofuran; hexane / 12 h / 20 °C

3.1: sulfuryl chloride / hexane / 0.5 h / 0 °C

With n-butyllithium; sulfuryl dichloride; toluene-4-sulfonic acid; In tetrahydrofuran; hexane; toluene;

DOI:10.1002/ejoc.200400335

upstream raw materials:

m-Chlorobenzoyl chloride

1,2-dichloro-benzene

Downstream raw materials:

2-(3-chloro-phenyl)-2-(3,4-dichloro-phenyl)-[1,3]dioxolane

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