4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

Base Information

• Chemical Name: 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde
• CAS No.: 108574-98-7
• Molecular Formula: C7HBrF4O
• Molecular Weight: 256.982
• DSSTox Substance ID: DTXSID80546335
• Wikidata: Q82424152
• Mol file: 108574-98-7.mol

Synonyms:4-bromo-2,3,5,6-tetrafluorobenzaldehyde;108574-98-7;Benzaldehyde, 4-bromo-2,3,5,6-tetrafluoro-;MFCD31652790;C7HBrF4O;SCHEMBL9322221;DTXSID80546335;ABQIERQXAUMNCS-UHFFFAOYSA-N;AMY18804;AKOS037645982;AS-65487;SY252934;CS-0059751;W17265;EN300-6508492;Z2733548800

Chemical Property of 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

Chemical Property:

• Melting Point: 101-103 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 220.1±40.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.916±0.06 g/cm3(Predicted)
• LogP: 2.81800
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 255.91469
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

There total 1 articles about 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde 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: 76.0%

perfluorobenzaldehyde (653-37-2) → formyl-2,3,5,6-tetrafluoro-1-bromobenzene (108574-98-7)

Guidance literature:

With lithium bromide; In 1-methyl-pyrrolidin-2-one; at 165 ℃; for 3.5h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d0dt03047c

Reference yield: 80.0%

formyl-2,3,5,6-tetrafluoro-1-bromobenzene (108574-98-7) → 4-bromotetrafluorobenzaldoxime

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In methanol; for 0.15h; Green chemistry;

DOI:10.1039/c2cc36315a

Reference yield: 80.0%

formyl-2,3,5,6-tetrafluoro-1-bromobenzene (108574-98-7) + trimethylsilylacetylene (1066-54-2) → 2,3,5,6-tetrafluoro-4-((trimethylsilyl)ethynyl)benzaldehyde

Guidance literature:

With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; triethylamine; at 60 ℃; for 4h; Inert atmosphere;

upstream raw materials:

perfluorobenzaldehyde

Downstream raw materials:

(4-bromo-2,3,5,6-tetrafluorophenyl)methanol