(Dichlorofluoromethyl)benzene

Base Information

• Chemical Name: (Dichlorofluoromethyl)benzene
• CAS No.: 498-67-9
• Molecular Formula: C7H5Cl2F
• Molecular Weight: 179.021
• Hs Code.: 2902900000
• European Community (EC) Number: 207-867-6
• DSSTox Substance ID: DTXSID7060099
• Nikkaji Number: J31.784E
• Wikidata: Q81989054
• Mol file: 498-67-9.mol

Synonyms:alpha,alpha-dichloro-alpha-fluorotoluene

Chemical Property of (Dichlorofluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 1.3mmHg at 25°C
• Melting Point: -26.8°C
• Refractive Index: 1.5180
• Boiling Point: 179°C at 760 mmHg
• Flash Point: 73.2°C
• PSA: 0.00000
• Density: 1.327g/cm³
• LogP: 3.24400
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.9752337
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

(DICHLOROFLUOROMETHYL)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(F)(Cl)Cl

Technology Process of (Dichlorofluoromethyl)benzene

There total 6 articles about (Dichlorofluoromethyl)benzene 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: 95.0%

Benzotrichlorid (98-07-7) → (dichlorofluoromethyl)benzene (498-67-9) + (chlorodifluoromethyl)benzene (349-50-8)

Guidance literature:

With potassium hexafluorophosphate; potassium fluoride; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 150 ℃; for 5h; Further Variations:; Reagents; Kinetics; Product distribution;

DOI:10.1002/adsc.200606086

Reference yield: 10.6%

Benzotrichlorid (98-07-7) → (dichlorofluoromethyl)benzene (498-67-9)

Guidance literature:

In polyethylene;

Reference yield:

Benzotrichlorid (98-07-7) → α,α,α-trifluorotoluene (98-08-8) + (dichlorofluoromethyl)benzene (498-67-9) + (chlorodifluoromethyl)benzene (349-50-8)

Guidance literature:

With antimonypentachloride; pyridine hydrogenfluoride; at 50 ℃; for 1h; under 7500.75 Torr; Autoclave;

DOI:10.1016/j.jfluchem.2010.06.013

upstream raw materials:

Benzotrichlorid

antimony(III) fluoride

Refernces

• 1、 Piou, Alexandre,Celerier, Stephane,Brunet, Sylvette. "Selective fluorination of substituted trichloromethyl benzenes by HF in liquid phase: Preparation of fluorinated building blocks". experimental part. p. 1241 - 1246. Retrieved 2011/01/12.
• 2、 Anguille, Stephane,Garayt, Maxime,Schanen, Vincent,Gree, Rene. "Activation of nucleophilic fluorination by salts in ionic liquids and in sulfolane". . p. 1149 - 1153. Retrieved 2007/10/03.