4-Chloro-2-fluoro-6-iodoaniline

Base Information

• Chemical Name: 4-Chloro-2-fluoro-6-iodoaniline
• CAS No.: 216393-67-8
• Molecular Formula: C6H4ClFIN
• Molecular Weight: 271.46
• Hs Code.: 2921420090
• European Community (EC) Number: 678-656-8
• DSSTox Substance ID: DTXSID80378613
• Nikkaji Number: J2.585.010F
• Wikidata: Q82168091
• Mol file: 216393-67-8.mol

Synonyms:4-chloro-2-fluoro-6-iodoaniline;216393-67-8;MFCD01318122;SCHEMBL405696;N,N-DIPYRIDIN-3-YLUREA;2-fluoro-4-chloro-6-iodoaniline;DTXSID80378613;2-Iodo-4-chloro-6-fluoroaniline;SSNQXCONXNVTJN-UHFFFAOYSA-N;4-chloro-2-fluoro-6-iodo-aniline;4-Chloro-2-fluoro-6-iodo-phenylamine;AKOS015850169;CS-W022139;DS-14847;SY030340;FT-0618014;4-Chloro-2-fluoro-6-iodoaniline, AldrichCPR;EN300-196742;A815558;F8885-0106

Chemical Property of 4-Chloro-2-fluoro-6-iodoaniline

Chemical Property:

• Vapor Pressure: 0.00818mmHg at 25°C
• Melting Point: 39-41 °C
• Refractive Index: 1.665
• Boiling Point: 267.4 °C at 760 mmHg
• PKA: 0.51±0.10(Predicted)
• Flash Point: 115.5 °C
• PSA: 26.02000
• Density: 2.089 g/cm³
• LogP: 3.24710
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 270.90610
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

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

4-Chloro-2-fluoro-6-iodoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 20/21/22-36/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)N)I)Cl

Technology Process of 4-Chloro-2-fluoro-6-iodoaniline

There total 2 articles about 4-Chloro-2-fluoro-6-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: 98.0%

2-fluoro-4-chloroaniline (57946-56-2) → 4-chloro-2-fluoro-6-iodophenylamine (216393-67-8)

Guidance literature:

With silver(II) sulfate; iodine; In ethanol; at 20 ℃; for 2h;

Reference yield:

→ 4-chloro-2-fluoro-6-iodophenylamine (216393-67-8)

Guidance literature:

Reference yield: 92.0%

4-chloro-2-fluoro-6-iodophenylamine (216393-67-8) + phenylacetylene (536-74-3) → 5-chloro-7-fluoro-2-phenyl-1H-indole

Guidance literature:

4-chloro-2-fluoro-6-iodophenylamine; phenylacetylene; With caesium carbonate; (1,10-phenanthroline)bis(triphenylphosphine)copper(I) nitrate; In toluene; at 110 ℃; for 24h;

With sodium t-butanolate; In toluene; at 110 ℃; for 4h;

DOI:10.1055/s-2005-869893

upstream raw materials:

2-fluoro-4-chloroaniline

Downstream raw materials:

5-chloro-7-fluoro-1H-indole-2-carboxylic acid

(S)-4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)oxazolidin-2-one

4-chloro-2-fluoro-6-pyridin-3-ylethynyl-phenylamine

N-(2-(5-chloro-7-fluoro-2-(triethylsilyl)-1H-indol-3-yl)ethyl)-5-(2,5-difluorobenzyl)isoxazole-3-carboxamide

Refernces

• 1、 -. "Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection". Paragraph 0582-0583. . Retrieved 2016/08/17.
• 2、 -. "NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION". Page/Page column 119. . Retrieved 2014/02/15.