4,4'-Dichlorobenzophenone

Base Information

• Chemical Name: 4,4'-Dichlorobenzophenone
• CAS No.: 90-98-2
• Molecular Formula: C13H8Cl2O
• Molecular Weight: 251.112
• Hs Code.: 29147000
• European Community (EC) Number: 202-030-1
• NSC Number: 8787
• UNII: 3MTL0YC2Q5
• DSSTox Substance ID: DTXSID3037626
• Nikkaji Number: J39.679F
• Wikipedia: 4,4%27-Dichlorobenzophenone,4'-Dichlorobenzophenone
• Wikidata: Q4637048
• Metabolomics Workbench ID: 67536
• ChEMBL ID: CHEMBL1870191
• Mol file: 90-98-2.mol

Synonyms:4,4'-dichlorobenzophenone

Chemical Property of 4,4'-Dichlorobenzophenone

Chemical Property:

• Appearance/Colour: faintly yellow crystalline powder
• Melting Point: 144-146 °C(lit.)
• Refractive Index: 1.5555 (estimate)
• Boiling Point: 353 °C at 760 mmHg
• Flash Point: 156.2 °C
• PSA: 17.07000
• Density: 1.311 g/cm³
• LogP: 4.22440
• Storage Temp.: 0-6°C
• Solubility.: Soluble in hot acetone.
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.9952203
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

4,4''-Dichlorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzophenones
• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
• Uses: 4,4'-Dichlorobenzophenone is used as pharmaceutical intermediates. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuffs. Bisaminonitrile was polymerized with 4,4'-dichlorobenzophenone using NaH as base.

Technology Process of 4,4'-Dichlorobenzophenone

There total 223 articles about 4,4'-Dichlorobenzophenone 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: 66.0%

carbon monoxide (201230-82-2) + tetra(p-chlorophenyl)tin (15799-48-1) → 4,4'-dichlorobiphenyl (2050-68-2) + 4,4'-Dichlorobenzophenone (90-98-2) + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With copper dichloride; palladium dichloride; In acetonitrile; at 25 ℃; for 20h;

DOI:10.1246/bcsj.74.1343

Reference yield: 64.0%

carbon monoxide (201230-82-2) + tris(4-chlorophenyl)bismuthane (5575-51-9) → 4,4'-dichlorobiphenyl (2050-68-2) + 4,4'-Dichlorobenzophenone (90-98-2)

Guidance literature:

With di(rhodium)tetracarbonyl dichloride; In acetonitrile; at 25 ℃; for 20h; under 760 Torr;

DOI:10.1039/c39920000453

Reference yield: 60.0%

4,4'-dichlorobenzophenone (90-97-1) + di(p-tolyl) sulfoxide (1774-35-2) → di-(p-tolyl)sulfane (620-94-0) + 4,4'-Dichlorobenzophenone (90-98-2)

Guidance literature:

With per-rhenic acid; In toluene; for 24h; Reflux;

DOI:10.1016/j.tetlet.2012.08.145

upstream raw materials:

diethyl ether

methylammonium carbonate

ethanol

bis-(4-chlorophenyl)-dichloromethane

Downstream raw materials:

bis(4-chlorophenyl)(pyridin-2-yl)methanol

tetrakis-(4-chloro-phenyl)-ethane-1,2-diol

6,6-bis(4-chlorophenyl)fulvene

bis(4-chlorophenyl)methanamine

Refernces

Direct Exploitation of the Ethynyl Moiety in Calcium Carbide Through Sealed Ball Milling

10.1002/ejoc.202000612

The study explores a novel method for the direct exploitation of the ethynyl moiety in calcium carbide (CaC2) through sealed ball milling, which allows for the reaction of CaC2 with organic electrophiles without the need for additives or catalysts. The primary chemicals used in the study include calcium carbide (CaC2) and various ketones, such as benzophenone, 2-naphthyl phenyl ketone, 4,4′-dichlorobenzophenone, and others, which serve as substrates for ethynylation reactions. Additionally, aryl halides like 9-bromophenanthrene and 2-fluoro-1,4-dimethoxybenzene were used to investigate the feasibility of alkynylation under ball milling conditions. The purpose of these chemicals is to demonstrate a practical and cost-effective alternative method for introducing ethynyl functionalities into organic molecules, which is synthetically valuable and has potential applications in organic synthesis.

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