4-Bromo-1-(difluoromethoxy)-2-fluorobenzene

Base Information

• Chemical Name: 4-Bromo-1-(difluoromethoxy)-2-fluorobenzene
• CAS No.: 147992-27-6
• Molecular Formula: C₇H₄BrF₃O
• Molecular Weight: 241.007
• Hs Code.: 2909309090
• European Community (EC) Number: 816-293-0
• DSSTox Substance ID: DTXSID20576792
• Wikidata: Q72454394
• Mol file: 147992-27-6.mol

Synonyms:4-Bromo-1-(difluoromethoxy)-2-fluorobenzene;147992-27-6;4-Bromo-1-difluoromethoxy-2-fluoro-benzene;1-Bromo-3-fluoro-4-(difluoromethoxy)benzene;4-Bromo-2-fluoro-1-(difluoromethoxy)benzene;Benzene, 4-bromo-1-(difluoromethoxy)-2-fluoro-;MFCD11036067;4-(Difluoromethoxy)-3-fluorobromobenzene;4-Bromo-1-(difluoromethoxy)-2-fluoro-benzene;SCHEMBL246292;DTXSID20576792;AMY37732;CK2371;AKOS015835494;PS-11659;SY035786;CS-0077243;EN300-204250;J-008430;Z55672072

Chemical Property of 4-Bromo-1-(difluoromethoxy)-2-fluorobenzene

Chemical Property:

• Boiling Point: 211℃
• Flash Point: 97℃
• PSA: 9.23000
• Density: 1.660
• LogP: 3.18960
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.93976
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-1-(difluoromethoxy)-2-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)OC(F)F

Technology Process of 4-Bromo-1-(difluoromethoxy)-2-fluorobenzene

There total 4 articles about 4-Bromo-1-(difluoromethoxy)-2-fluorobenzene 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: 80.0%

Chlorodifluoromethane (75-45-6) + 4-bromo-2-fluorophenol (2105-94-4) → 4-bromo-1-(difluoromethoxy)-2-fluoro-benzene (147992-27-6)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; at 65 - 75 ℃; for 6h;

Reference yield: 74.0%

4-bromo-2-fluorophenol (2105-94-4) + sodium chlorodifluoroacetate (1895-39-2) → 4-bromo-1-(difluoromethoxy)-2-fluoro-benzene (147992-27-6)

Guidance literature:

4-bromo-2-fluorophenol; sodium chlorodifluoroacetate; With potassium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 2.5h; Inert atmosphere;

With hydrogenchloride; water; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 64.1%

iododifluoromethane (1493-03-4) + 4-bromo-2-fluorophenol (2105-94-4) → 4-bromo-1-(difluoromethoxy)-2-fluoro-benzene (147992-27-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

Chlorodifluoromethane

4-bromo-2-fluorophenol

iododifluoromethane

sodium chlorodifluoroacetate

Downstream raw materials:

3-(4-difluoromethoxy-3-fluoro-phenyl)-propionic acid butyl ester

3-(4-difluoromethoxy-3-fluoro-phenyl)-propan-1-ol

3-(4-difluoromethoxy-3-fluoro-phenyl)-propionaldehyde

3-(4-difluoromethoxy-3-fluoro-phenyl)-propionic acid