2-Bromo-4,6-Difluoroaniline

Base Information

• Chemical Name: 2-Bromo-4,6-Difluoroaniline
• CAS No.: 444-14-4
• Molecular Formula: C6H4BrF2N
• Molecular Weight: 208.005
• Hs Code.: 29214200
• European Community (EC) Number: 429-430-0,610-183-4
• NSC Number: 93389
• DSSTox Substance ID: DTXSID00196154
• Nikkaji Number: J208.137G
• Wikidata: Q72454243
• Mol file: 444-14-4.mol

Synonyms:2-Bromo-4,6-Difluoroaniline;444-14-4;2,4-difluoro-6-bromoaniline;6-bromo-2,4-difluoroaniline;2-Bromo-4,6-difluoro-phenylamine;Benzenamine, 2-bromo-4,6-difluoro-;EC 429-430-0;2-Bromo-4,6-difluorobenzenamine;NSC93389;2-Bromo4,6-difluoroaniline;NCIOpen2_005827;SCHEMBL78688;2-bromo-4,6-difluoro aniline;WUJKFVGKLTWVSQ-UHFFFAOYSA-;DTXSID00196154;MFCD00009639;NSC 93389;NSC-93389;STK397745;2-Bromo-4,6-difluoroaniline, 97%;2-bromanyl-4,6-bis(fluoranyl)aniline;AKOS000111229;AC-3647;AM61979;CS-W015243;SB77418;AS-15016;A7050;B1288;BB 0245919;FT-0611432;EN300-20938;A826570;F0001-1207

Chemical Property of 2-Bromo-4,6-Difluoroaniline

Chemical Property:

• Appearance/Colour: white crystalline low melting solid
• Vapor Pressure: 0.219mmHg at 25°C
• Melting Point: 41-42 °C(lit.)
• Refractive Index: 1.57
• Boiling Point: 208 °C at 760 mmHg
• PKA: 1.20±0.10(Predicted)
• Flash Point: 79.6 °C
• PSA: 26.02000
• Density: 1.788 g/cm³
• LogP: 2.89070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 206.94952
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4,6-difluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi,N
• Statements: 20/21/22-36/37/38-51/53-22
• Safety Statements: 26-36-36/37/39-61-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)N)Br)F
• Uses: 2-Bromo-4,6-difluoroaniline is used in chemical synthesis.

Technology Process of 2-Bromo-4,6-Difluoroaniline

There total 3 articles about 2-Bromo-4,6-Difluoroaniline 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: 68.0%

ethanol (64-17-5) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 2-bromo-4,6-difluoroaniline (444-14-4)

Guidance literature:

With bromine; sodium acetate; In water; acetic acid;

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → 2-bromo-4,6-difluoroaniline (444-14-4)

Guidance literature:

With bromine; acetic acid;

DOI:10.1021/jo01128a018

Reference yield:

→ 2-bromo-4,6-difluoroaniline (444-14-4)

Guidance literature:

upstream raw materials:

2,4-difluorophenylamine

ethanol

Downstream raw materials:

2,4-difluoro-6-[(trimethylsilyl)ethynyl]aniline

1-bromo-3,5-difluoro-2-methylsulfanyl-benzene

N-(2-bromo-4,6-difluorophenyl)acetamide

N-(2-bromo-4,6-difluorophenyl)pivalamide

Refernces