5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
• CAS No.: 115467-07-7
• Molecular Formula: C₇H₂BrF₅O
• Molecular Weight: 276.988
• Hs Code.: 2909309090
• European Community (EC) Number: 601-363-3
• DSSTox Substance ID: DTXSID50570203
• Wikidata: Q72464351
• Mol file: 115467-07-7.mol

Synonyms:115467-07-7;5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene;3,5-DIFLUORO-4-(TRIFLUOROMETHOXY)BROMOBENZENE;MFCD03412225;Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)-;2,6-Difluoro-4-Bromo(trifluoromethoxy)benzene;Benzene,5-bromo-1,3-difluoro-2-(trifluoromethoxy)-;SCHEMBL6558034;AMY8761;DTXSID50570203;AKOS015888705;DS-3789;SY020765;B5057;CS-0041212;NS00134165;4-Bromo-2,6-difluoro(trifluoromethoxy)benzene;F11421;4-Bromo-2,6-difluoro-1-(trifluoromethoxy)benzene;A893868

Chemical Property of 5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene

Chemical Property:

• Vapor Pressure: 1.55mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 175.315oC at 760 mmHg
• Flash Point: 72.901oC
• PSA: 9.23000
• Density: 1.794g/cm3
• LogP: 3.62590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 275.92092
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

99.9% ^*data from raw suppliers

3,5-Difluoro-4-(trifluoromethoxy)bromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)OC(F)(F)F)F)Br

Technology Process of 5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene

There total 3 articles about 5-Bromo-1,3-difluoro-2-(trifluoromethoxy)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:

4-bromo-2,6-difluorodifluorobromomethoxybenzene → 4-bromo-2,6-difluorotrifluoromethoxybenzene (115467-07-7)

Guidance literature:

With iron(III) chloride; hydrogen fluoride; at 120 - 140 ℃; for 16h; under 760.051 Torr;

Reference yield:

4-bromo-2,6-difluorodifluorochloromethoxybenzene → 4-bromo-2,6-difluorotrifluoromethoxybenzene (115467-07-7)

Guidance literature:

With hydrogen fluoride; antimonypentachloride; In tetrahydrofuran; at 80 - 100 ℃; for 12h; Autoclave;

Reference yield:

4-bromo-2,6-difluorophenol (104197-13-9) → 4-bromo-2,6-difluorotrifluoromethoxybenzene (115467-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / -10 - -5 °C

1.2: 6 h / 20 °C

2.1: hydrogen fluoride; iron(III) chloride / 16 h / 120 - 140 °C / 760.05 Torr

With iron(III) chloride; hydrogen fluoride; sodium hydride; In N,N-dimethyl-formamide;

upstream raw materials:

4-bromo-2,6-difluorophenol

Downstream raw materials:

3,5-difluoro-4-(trifluoromethoxy)phenol