4-Bromo-2-fluoroaniline

Base Information

• Chemical Name: 4-Bromo-2-fluoroaniline
• CAS No.: 367-24-8
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.015
• Hs Code.: 29214200
• European Community (EC) Number: 206-685-4
• DSSTox Substance ID: DTXSID90190141
• Nikkaji Number: J193.874F
• Wikidata: Q72455661
• Mol file: 367-24-8.mol

Synonyms:4-Bromo-2-fluoroaniline;367-24-8;2-fluoro-4-bromoaniline;Benzenamine, 4-bromo-2-fluoro-;C6H5BrFN;4-bromo-2-fluoro-aniline;4-bromo-2-fluorophenylamine;MFCD00010221;4-bromo-2-fluoro aniline;EINECS 206-685-4;4-Bromo-2-fluoro-phenylamine;4-bromo-2fluoroaniline;4-bromo-2 fluoroaniline;4-bromo-6-fluoroaniline;4bromo -2-fluoroaniline;2-fluoro-4 -bromoaniline;2-fluoro-4-bromo aniline;2-fluoro-4-bromo-aniline;SCHEMBL57179;2-fluoro-4-bromo-phenylamine;C6-H5-Br-F-N;(4-bromo-2-fluorophenyl)amine;4-Bromo-2-fluoroaniline, 98%;DTXSID90190141;BCP21565;STL163903;AKOS000119545;AC-3654;CS-W007557;PS-8395;AM20060182;B1314;FT-0612035;EN300-19932;W-106594;F2190-0460;Z104476130

Chemical Property of 4-Bromo-2-fluoroaniline

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 1.62mmHg at 25°C
• Melting Point: 40-42 °C
• Refractive Index: 1.52
• Boiling Point: 210 °C at 760 mmHg
• PKA: 2.50±0.10(Predicted)
• Flash Point: 104.4 °C
• PSA: 26.02000
• Density: 1.694 g/cm³
• LogP: 2.75160
• Storage Temp.: Room temperature.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.95894
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T,Xn
• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)N
• Uses: 4-Bromo-2-fluoroaniline can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes. 4-Bromo-2-fluoroaniline was used in synthesis of 4-amino-3-fluorophenyl boronic acid. It was also used in chemical modification and synthesis of boronic acid derivatives for ultraviolet-visible titration.

Technology Process of 4-Bromo-2-fluoroaniline

There total 11 articles about 4-Bromo-2-fluoroaniline 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: 92.0%

2-Fluoroaniline (348-54-9) → 4-bromo-2-fluoroaniline (367-24-8)

Guidance literature:

With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; at 20 ℃; for 0.5h;

DOI:10.1021/jo050059u

Reference yield: 88.0%

4-bromo-2-fluorophenylazide → 4-bromo-2-fluoroaniline (367-24-8)

Guidance literature:

With ammonium hydroxide; at 90 ℃; for 1.5h;

DOI:10.1080/00397910701739097

Reference yield: 80.0%

→ 4-bromo-2-fluoroaniline (367-24-8)

Guidance literature:

With potassium fluoride; In tetrahydrofuran; water; for 2h; Inert atmosphere; Reflux;

upstream raw materials:

2-Fluoroaniline

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one

4-bromo-2-fluoronitrobenzene

4-bromo-aniline

Downstream raw materials:

4-bromo-6-fluorobenzonitrile

2-amino-5-bromo-3-fluorobenzenesulphonic acid

N-(4-bromo-2-fluorophenyl)pivalamide

(4-bromo-2-fluorophenyl)hexylamine

Refernces

• 1、 -. "Aryl halide and synthesis method and application thereof". Paragraph 0058-0060. . Retrieved 2020/06/02.
• 2、 Longkumer, Naruti,Richa, Kikoleho,Karmaker, Rituparna,Kuotsu, Visekhonuo,Supong, Aola,Jamir, Latonglila,Bharali, Pranjal,Sinha, Upasana Bora. "Green synthesis of bromo organic molecules and investigations on their antibacterial properties: An experimental and computational approach". . p. 276 - 283. Retrieved 2019/07/12.