4-Bromo-4'-fluoro-1,1'-biphenyl

Base Information

• Chemical Name: 4-Bromo-4'-fluoro-1,1'-biphenyl
• CAS No.: 398-21-0
• Molecular Formula: C12H8BrF
• Molecular Weight: 251.098
• Hs Code.: 2903999090
• European Community (EC) Number: 206-909-0
• NSC Number: 91565
• UNII: XVY4JM8V79
• DSSTox Substance ID: DTXSID10192869
• Nikkaji Number: J213.638D
• Wikidata: Q72456003
• Mol file: 398-21-0.mol

Synonyms:4-Bromo-4'-fluorobiphenyl;398-21-0;4-Bromo-4'-fluoro-1,1'-biphenyl;1-bromo-4-(4-fluorophenyl)benzene;1,1'-Biphenyl, 4-bromo-4'-fluoro-;C12H8BrF;XVY4JM8V79;Biphenyl, 4-bromo-4'-fluoro-;4-BROMO-4-FLUOROBIPHENYL;EINECS 206-909-0;NSC-91565;4'-fluoro-4-bromobiphenyl;NSC91565;UNII-XVY4JM8V79;4-fluoro-4'-bromobiphenyl;4'-bromo-4-fluoro-biphenyl;4'-fluoro-4-bromo-biphenyl;4-bromo-4'-fluoro-biphenyl;SCHEMBL787631;DTXSID10192869;4'-BROMO-4-FLUOROBIPHENYL;4-Bromo-4'-fluorobiphenyl, 97%;MFCD00017954;NSC 91565;AKOS004117367;PS-7467;4-Bromo-4\'-fluoro-1,1\'-biphenyl;CS-0009418;FT-0617839;W-106403

Chemical Property of 4-Bromo-4'-fluoro-1,1'-biphenyl

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 92.5-97.5 °C(lit.)
• Boiling Point: 307.6 °C at 760 mmHg
• Flash Point: 143.7 °C
• PSA: 0.00000
• Density: 1.433 g/cm³
• LogP: 4.25520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 249.97934
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-4''-fluorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi,N
• Statements: 20/21/22-50/53-41
• Safety Statements: 22-36/37/39-61-60-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)F

Technology Process of 4-Bromo-4'-fluoro-1,1'-biphenyl

There total 16 articles about 4-Bromo-4'-fluoro-1,1'-biphenyl 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: 93.0%

(p-fluorophenyl)trimethylsilane (455-17-4) + 4-bromobenzenediazonium tetrafluoroborate (673-40-5) → 4-bromo-4'-fluorobiphenyl (398-21-0)

Guidance literature:

With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); In acetonitrile; at -78 - 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c8cc08227h

Reference yield: 66.0%

4-(4-bromophenyl)bromobenzene (92-86-4) → 4-bromo-4'-fluorobiphenyl (398-21-0)

Guidance literature:

4-(4-bromophenyl)bromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; Flow reactor;

With 2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole-1,1-dioxide; In tetrahydrofuran; hexane; at 0 ℃; Reagent/catalyst; Flow reactor;

DOI:10.1002/asia.201201191

Reference yield: 58.0%

4-fluoro-1-iodobenzene (352-34-1) + 4-Bromophenylboronic acid (5467-74-3) → 4-bromo-4'-fluorobiphenyl (398-21-0)

Guidance literature:

With caesium carbonate; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1002/jlcr.1099

upstream raw materials:

4-fluoro-biphenyl

4-amino-4'-bromobiphenyl

bromobenzene

4-fluorobenzenediazonium tetrafluoroborate

Downstream raw materials:

4-Bromobenzoic acid

2-(4’-fluoro-[1,1’-biphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

methyl 6-chloro-4-(4'-fluoro-[1,1'-biphenyl]-4-yl)picolinate

methyl 4-chloro-6-(4'-fluoro-[1,1'-biphenyl]-4-yl)picolinate

Refernces

• 1、 Lee, Juyoung,Hong, Boseok,Lee, Anna. "Visible-Light-Promoted, Catalyst-Free Gomberg-Bachmann Reaction: Synthesis of Biaryls". . p. 9297 - 9306. Retrieved 2019/08/12.
• 2、 Li, Fusheng,Zhao, Baodong,Chen, Yu,Zhang, Yufei,Wang, Tao,Xue, Song. "Synthesis, characterization, and nonlinear optical (NLO) properties of truxene-cored diphenylamine derivatives". . p. 20 - 26. Retrieved 2017/05/29.