2-Fluoro-4-iodoaniline

Base Information

• Chemical Name: 2-Fluoro-4-iodoaniline
• CAS No.: 29632-74-4
• Molecular Formula: C6H5FIN
• Molecular Weight: 237.015
• Hs Code.: 29214200
• NSC Number: 146507
• DSSTox Substance ID: DTXSID50952101
• Nikkaji Number: J796.424B
• Wikidata: Q72480226
• Mol file: 29632-74-4.mol

Synonyms:2-fluoro-4-iodoaniline

Chemical Property of 2-Fluoro-4-iodoaniline

Chemical Property:

• Appearance/Colour: off-white to brown powder
• Vapor Pressure: 0.0114mmHg at 25°C
• Melting Point: 55-57 °C(lit.)
• Refractive Index: 1.656
• Boiling Point: 248.6 °C at 760 mmHg
• PKA: 2.41±0.10(Predicted)
• Flash Point: 104.2 °C
• PSA: 26.02000
• Density: 2.008 g/cm³
• LogP: 2.59370
• Storage Temp.: Refrigerated.
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.94507
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-iodoaniline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)F)N
• Uses: 2-Fluoro-4-iodoaniline is widely used in the pharmaceutical, chemical and food industries as a fundamental building block to create a variety of important compounds.

Technology Process of 2-Fluoro-4-iodoaniline

There total 2 articles about 2-Fluoro-4-iodoaniline 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: 77.0%

2-Fluoroaniline (348-54-9) → 2-fluro-4-iodoaniline (29632-74-4)

Guidance literature:

With iodine; sodium hydrogencarbonate; In water; at 60 - 80 ℃; for 2h;

Reference yield:

→ 2-fluro-4-iodoaniline (29632-74-4)

Guidance literature:

DOI:10.1039/j39700002106

Reference yield: 100.0%

2-fluro-4-iodoaniline (29632-74-4) + trimethylsilylacetylene (1066-54-2) → 2-fluoro-4-((trimethylsilyl)ethynyl)aniline (518342-58-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; for 21h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.6b00057

upstream raw materials:

2-Fluoroaniline

Downstream raw materials:

2-fluoro-4-iodo-benzonitrile

N-(2-fluoro-4-iodo-phenyl)-acetamide

1-(2-fluoro-4-iodophenyl)-2,5-dimethyl-1H-pyrrole

4-bromo-3-fluro-4'-pentylbiphenyl

Refernces

• 1、 -. "METALLO-BETA-LACTAMASE INHIBITORS". Page/Page column 46. . Retrieved 2017/04/04.
• 2、 Chretien, Jean-Mathieu,Zammattio, Francoise,Le Grognec, Erwan,Paris, Michael,Cahingt, Blanche,Montavon, Gilles,Quintard, Jean-Paul. "Polymer-supported organotin reagents for regioselective halogenation of aromatic amines". . p. 2870 - 2873. Retrieved 2007/10/03.