4-Bromo-2-fluoro-6-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline
• CAS No.: 875664-46-3
• Molecular Formula: C7H4BrF4N
• Molecular Weight: 258.013
• Hs Code.: 2921490090
• European Community (EC) Number: 642-659-2
• DSSTox Substance ID: DTXSID00590693
• Wikidata: Q82484331
• Mol file: 875664-46-3.mol

Synonyms:4-Bromo-2-fluoro-6-(trifluoromethyl)aniline;875664-46-3;MFCD06660218;SCHEMBL1093928;DTXSID00590693;AKOS005254883;PS-7389;CS-0267969;EN300-1642019;A842270;4-Bromo-2-fluoro-6-trifluoromethylaniline;2-Amino-5-bromo-3-fluorobenzotrifluoride

Chemical Property of 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.414mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 195.7 °C at 760 mmHg
• Flash Point: 72.1 °C
• PSA: 26.02000
• Density: 1.771 g/cm³
• LogP: 3.77040
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 256.94632
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-fluoro-6-(trifluoromethyl)aniline 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)F)Br

Technology Process of 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline

There total 1 articles about 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline 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:

2-fluoro-6-trifluoromethylaniline → 4-bromo-2-fluoro-6-(trifluoromethyl)benzenamine (875664-46-3)

Guidance literature:

With N-Bromosuccinimide; iron(III) chloride; In acetonitrile; at 20 ℃; for 1.5h;

Reference yield: 69.8%

4-bromo-2-fluoro-6-(trifluoromethyl)benzenamine (875664-46-3) + tributyl(1-ethoxyvinyl)stannane (97674-02-7) → 1-[4-amino-3-fluoro-5-(trifluoromethyl)phenyl]ethan-1-one

Guidance literature:

4-bromo-2-fluoro-6-(trifluoromethyl)benzenamine; tributyl(1-ethoxyvinyl)stannane; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 120 ℃; Inert atmosphere;

With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃; for 4h; Inert atmosphere;

Reference yield:

4-bromo-2-fluoro-6-(trifluoromethyl)benzenamine (875664-46-3) + sodium cyanide (143-33-9,25596-52-5) → 4-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile (953091-29-7)

Guidance literature:

With nickel dibromide; In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 6h; Irradiation;

Downstream raw materials:

4-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile

N-{2-[2-chloro-5-cyano-3-(trifluoromethyl)phenoxy]-1-cyano-1-methylethyl}-4-(pentafluorothio)benzamide

Refernces