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

Base Information

• Chemical Name: 4-Bromo-2-(difluoromethyl)-1-fluorobenzene
• CAS No.: 445303-69-5
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.008
• Hs Code.: 2903999090
• European Community (EC) Number: 674-462-2
• DSSTox Substance ID: DTXSID70375590
• Wikidata: Q72454418
• Mol file: 445303-69-5.mol

Synonyms:4-bromo-2-(difluoromethyl)-1-fluorobenzene;445303-69-5;4-Bromo-2-difluoromethyl-1-fluorobenzene;MFCD06411633;4-bromo-1-fluoro-2-(difluoromethyl)benzene;4-Bromo-2-difluoromethyl-1-fluorobenzene Stabilized over potassium carbonate;Benzene, 4-bromo-2-(difluoromethyl)-1-fluoro-;SCHEMBL248835;DTXSID70375590;BBL102250;CK2364;STL556049;AKOS005257703;AM86977;AS-45892;SY063900;5-bromo-2-fluoro-1-(difluoromethyl)benzene;CS-0145817;FT-0644696;EN300-6480212;A826618;2-[bis(fluoranyl)methyl]-4-bromanyl-1-fluoranyl-benzene

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

Chemical Property:

• Vapor Pressure: 0.838mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 188.2 °C at 760 mmHg
• Flash Point: 74.9 °C
• PSA: 0.00000
• Density: 1.633 g/cm³
• LogP: 3.52580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.94485
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-2-difluoromethyl-1-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)C(F)F)F

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

There total 3 articles about 4-Bromo-2-(difluoromethyl)-1-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: 70.0%

5-bromo-2-fluorobenzaldehyde (93777-26-5) → 4-bromo-2-(difluoromethyl)-1-fluorobenzene (445303-69-5)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 0 ℃; Heating / reflux;

Reference yield: 70.0%

sodium hydrogencarbonate (144-55-8) + 5-bromo-2-fluorobenzaldehyde (93777-26-5) → 4-bromo-2-(difluoromethyl)-1-fluorobenzene (445303-69-5)

Guidance literature:

With diethylaminosulfur trifluoride; In dichloromethane;

Reference yield:

→ 4-bromo-2-(difluoromethyl)-1-fluorobenzene (445303-69-5)

Guidance literature:

In ethanol; dichloromethane; at 20 ℃; for 48h;

upstream raw materials:

5-bromo-2-fluorobenzaldehyde

sodium hydrogencarbonate

Downstream raw materials:

4-[3-(difluoromethyl)-4-fluorophenyl]pyridine

N-(5-(3-(difluoromethyl)-4-fluorophenyl)-2-morpholinopyridin-4-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine

2-[3-(difluoromethyl)-4-fluoro-phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Refernces

• 1、 -. "PYRAZOLES". Paragraph 143. . Retrieved 2016/02/29.
• 2、 -. "Substituted imidazol-pyridazine derivatives". Page 20; 7. . Retrieved 2010/02/05.