2,6-Dichloro-4-fluoroaniline

Base Information

• Chemical Name: 2,6-Dichloro-4-fluoroaniline
• CAS No.: 344-19-4
• Molecular Formula: C6H4Cl2FN
• Molecular Weight: 180.009
• Hs Code.: 2921420090
• UNII: QE7C2958V6
• DSSTox Substance ID: DTXSID20378834
• Wikidata: Q72466182
• Mol file: 344-19-4.mol

Synonyms:2,6-Dichloro-4-fluoroaniline;344-19-4;Benzenamine, 2,6-dichloro-4-fluoro-;2,6-Dichloro-4-fluorobenzenamine;2,6-dichloro-4-fluoro-aniline;QE7C2958V6;Aniline, 2,6-dichloro-4-fluoro-;(2,6-Dichloro-4-fluorophenyl)amine;2,6-dichloro-4-fluorophenylamine;2',6'-dichloro-4'-fluoroaniline;2,6,-Dichloro-4-fluoroaniline;UNII-QE7C2958V6;SCHEMBL1951099;DTXSID20378834;2,6 Dichloro-4-fluorophenylamine;YAUYKCFMKMZTEX-UHFFFAOYSA-N;MFCD00142845;AKOS006230606;AM61473;CS-W017244;AC-28632;DS-18170;D3625;FT-0631989;EN300-109509;A822230;Z1201619297

Chemical Property of 2,6-Dichloro-4-fluoroaniline

Chemical Property:

• Melting Point: 53-55 °C
• Boiling Point: 216.5 °C at 760 mmHg
• PKA: 0.77±0.10(Predicted)
• Flash Point: 84.8 °C
• PSA: 26.02000
• Density: 1.502 g/cm³
• LogP: 3.29590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Insoluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.9704827
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Dichloro-4-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)N)Cl)F
• Uses: 2,6-Dichloro-4-fluoroaniline is used as a pharmaceutical intermediate.

Technology Process of 2,6-Dichloro-4-fluoroaniline

There total 9 articles about 2,6-Dichloro-4-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: 78.0%

N-(2,6-dichloro-4-fluorophenyl)pyrimidine-2-sulfonamide → 2,6-dichloro-4-fluorobenzenamine (344-19-4)

Guidance literature:

With magnesium; In methanol; at 20 ℃; Sonication;

DOI:10.1039/c3cc47174h

Reference yield:

4-fluoroaniline (371-40-4) → 2,6-dichloro-4-fluorobenzenamine (344-19-4)

Guidance literature:

With chlorine;

Reference yield:

N-(2-chloro-4-fluorophenyl)pyrimidine-2-sulfonamide → 2,6-dichloro-4-fluorobenzenamine (344-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chloro-succinimide; oxygen; copper dichloride / acetonitrile / 16 h / 130 °C / 760.05 Torr

2: magnesium / methanol / 20 °C / Sonication

With N-chloro-succinimide; oxygen; magnesium; copper dichloride; In methanol; acetonitrile;

DOI:10.1039/c3cc47174h

upstream raw materials:

acetic acid-(2,6-dichloro-4-fluoro-anilide)

4-fluoroaniline

p-toluidine

2-chloro-4-fluoroaniline

Downstream raw materials:

acetic acid-(2,6-dichloro-4-fluoro-anilide)

Sodium; [2-(2,6-dichloro-4-fluoro-phenylamino)-phenyl]-acetate

sodium {2-[(2,6-dichloro-4-fluorophenyl)amino]-5-fluorophenyl}acetate

[1-(4-azido-5-fluoropyridin-3-yl)-meth-(E)-ylidene]-(2,6-dichloro-4-fluorophenyl)-amine

Refernces