4-Bromo-2-fluorobiphenyl

Base Information

• Chemical Name: 4-Bromo-2-fluorobiphenyl
• CAS No.: 41604-19-7
• Molecular Formula: C12H8BrF
• Molecular Weight: 251.098
• Hs Code.: 29036990
• European Community (EC) Number: 255-453-9
• DSSTox Substance ID: DTXSID00194433
• Nikkaji Number: J320.104J
• Wikidata: Q69756958
• Mol file: 41604-19-7.mol

Synonyms:2-Fluoro-4-bromo biphenyl;4-Bromo-2-fluoro-1,1-biphenyl;4-Bromo-2-fluoro biphenyl;4-bromo-2-fluoro-1,1'-biphenyl;4-bromo-2-fluoro-1-phenyl-benzene;1,1'-Biphenyl, 4-bromo-2-fluoro-;2-Fluoro-4-bromo biphenyl;

Chemical Property of 4-Bromo-2-fluorobiphenyl

Chemical Property:

• Appearance/Colour: clear to yellow crystal
• Vapor Pressure: 0.000187mmHg at 25°C
• Melting Point: 39-41 °C(lit.)
• Refractive Index: 1.478
• Boiling Point: 298.8 °C at 760 mmHg
• Flash Point: 138.3 °C
• PSA: 0.00000
• Density: 1.433 g/cm³
• LogP: 4.25520
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 249.97934
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2-fluoro-1,1''-biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn,N
• Statements: 22-36/37/38-20/21/22-50/53-36/38
• Safety Statements: 36/37/39-36-26-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F
• Uses: An intermediate in the preparation of non-steroidal anti-inflammatory drugs as well as other bio-active compounds.

Technology Process of 4-Bromo-2-fluorobiphenyl

There total 9 articles about 4-Bromo-2-fluorobiphenyl 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: 88.7%

→ 1-bromo-3-fluoro-4-phenylbenzene (41604-19-7)

Guidance literature:

Reference yield: 87.0%

sodium carbonate (497-19-8) + 1-bromo-3-fluoro-4-iodobenzene (105931-73-5) + phenylboronic acid (98-80-6) → 1-bromo-3-fluoro-4-phenylbenzene (41604-19-7)

Guidance literature:

palladium; In fluorobenzene; nitrogen;

Reference yield: 83.0%

4-bromo-2-fluoroaniline (367-24-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-bromo-3-fluoro-4-phenylbenzene (41604-19-7)

Guidance literature:

With nitrous acid isobutyl ester; copper(l) chloride; In tetrahydrofuran; at 20 ℃; for 0.0277778h; under 3750.38 Torr; Temperature; Pressure; Reagent/catalyst; Flow reactor;

upstream raw materials:

sodium carbonate

1-bromo-3-fluoro-4-iodobenzene

phenylboronic acid

4-bromo-2-fluoroaniline

Downstream raw materials:

2'-Fluoro-4''-propyl-[1,1';4',1'']terphenyl

2-fluoro-4-bromo-4'-propionylbiphenyl

2-fluorobiphenyl

(3R)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[3-fluoro-(4-phenyl)phenyl]hexanoic acid

Refernces

• 1、 Qiu, Ya-Yu,Gu, Haining,Zhang, Peng-Fei,Xu, Wei-Ming. "A practical synthesis of 2-fluoro-4-bromobiphenyl". . p. 539 - 541. Retrieved 2009.
• 2、 -. "AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME". Paragraph 0193-0198; 0229-0233. . Retrieved 2021/04/20.
• 3、 Kutonova, Ksenia V.,Jung, Nicole,Trusova, Marina E.,Filimonov, Victor D.,Postnikov, Pavel S.,Br?se, Stefan. "Arenediazonium Tosylates (ADTs) as Efficient Reagents for Suzuki-Miyaura Cross-Coupling in Neat Water". . p. 1680 - 1688. Retrieved 2017/03/21.