(Chlorodifluoromethoxy)benzene

Base Information

• Chemical Name: (Chlorodifluoromethoxy)benzene
• CAS No.: 770-11-6
• Molecular Formula: C7H5ClF2O
• Molecular Weight: 178.566
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30469227
• Nikkaji Number: J663.572E
• Wikidata: Q82296847
• Mol file: 770-11-6.mol

Synonyms:(chlorodifluoromethoxy)benzene;770-11-6;[chloro(difluoro)methoxy]benzene;(DIFLUOROCHLOROMETHOXY)BENZENE;SCHEMBL4532633;DTXSID30469227;UCFJMYVFTUOACF-UHFFFAOYSA-N;MFCD03412214;AKOS017344042;AM83171;BS-24344;CS-0208168;EN300-89197

Chemical Property of (Chlorodifluoromethoxy)benzene

Chemical Property:

• Boiling Point: 71 °C(Press: 58 Torr)
• PSA: 9.23000
• Density: 1.2748 g/cm3(Temp: 18 °C)
• LogP: 2.85450
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.9996988
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99%min ^*data from raw suppliers

(Chlorodifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (Chlorodifluoromethoxy)benzene

There total 6 articles about (Chlorodifluoromethoxy)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%

(difluoromethoxy)benzene (458-92-4) → difluorochloromethoxybenzene (770-11-6)

Guidance literature:

With chlorine; at 100 ℃; for 4.5h; Irradiation;

DOI:10.1023/A:1012786504175

Reference yield: 74.9%

(trichloromethoxy)benzene (34888-05-6) → difluorochloromethoxybenzene (770-11-6)

Guidance literature:

With perfluorooctyl sulfofluorure; hydrogen fluoride; at 5 - 110 ℃; for 4h; under 18751.9 - 21002.1 Torr; Autoclave;

Reference yield:

(trichloromethoxy)benzene (34888-05-6) → 1-trifluoromethoxybenzene (456-55-3) + difluorochloromethoxybenzene (770-11-6)

Guidance literature:

With hydrogen fluoride; antimonypentachloride; at 50 ℃; for 1h; under 7500.6 Torr; Further Variations:; Reagents; Temperatures; time; Product distribution;

DOI:10.1016/j.jfluchem.2004.08.002

upstream raw materials:

(trichloromethoxy)benzene

(difluoromethoxy)benzene

dichloro-phenoxy-methanesulfenyl chloride

phenylcarbonochloridothioate

Downstream raw materials:

4-bromo(difluorochloromethoxy)benzene

(difluoromethoxy)benzene

(phenoxy-difluoromethyl)trimethylsilane

1-(chlorodifluoromethoxy)-4-nitrobenzene

Refernces

• 1、 Brunet, Sylvette. "Examples of catalytic and selective routes for fluorinated building blocks". . p. 1067 - 1071. Retrieved 2014/11/27.
• 2、 Saint-Jalmes, Laurent. "Selective aliphatic fluorination by halogen exchange in mild conditions". . p. 85 - 90. Retrieved 2007/10/03.