2,6-Difluoro-4-iodoaniline

Base Information

• Chemical Name: 2,6-Difluoro-4-iodoaniline
• CAS No.: 141743-49-9
• Molecular Formula: C6H4F2IN
• Molecular Weight: 255.006
• Hs Code.: 2921420090
• European Community (EC) Number: 807-739-5
• NSC Number: 128901
• DSSTox Substance ID: DTXSID60299251
• Wikidata: Q72463042
• Mol file: 141743-49-9.mol

Synonyms:2,6-Difluoro-4-iodoaniline;141743-49-9;Benzenamine, 2,6-difluoro-4-iodo-;MFCD07774189;2,6-Difluoro-4-iodine-phenylamine;NSC128901;2,6-difluoro-4-iodaniline;4-iodo-2,6-difluoroaniline;2,6-difluoro-4-iodo-aniline;SCHEMBL1095914;DTXSID60299251;HCUZNQLIMDDCHF-UHFFFAOYSA-N;AKOS015890093;AC-3675;AM61312;NSC-128901;DS-12105;SY023674;CS-0063173;D5214;FT-0643330;EN300-115827;AR-527/43467619

Chemical Property of 2,6-Difluoro-4-iodoaniline

Chemical Property:

• Vapor Pressure: 0.0985mmHg at 25°C
• Melting Point: 77-79 °C
• Refractive Index: 1.628
• Boiling Point: 223.002 °C at 760 mmHg
• PKA: 1.02±0.10(Predicted)
• Flash Point: 88.669 °C
• PSA: 26.02000
• Density: 2.087 g/cm³
• LogP: 2.73280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 254.93565
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

2,6-Difluoro-4-iodoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Difluoro-4-iodoaniline

There total 2 articles about 2,6-Difluoro-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: 100.0%

2,6-difluoroaniline (5509-65-9) → 2,6-difluoro-4-iodoaniline (141743-49-9)

Guidance literature:

With N-iodo-succinimide; toluene-4-sulfonic acid; In N,N-dimethyl-formamide; at 5 - 20 ℃; for 2.5h;

DOI:10.1021/ja310323y

Reference yield:

→ 2,6-difluoro-4-iodoaniline (141743-49-9)

Guidance literature:

Reference yield: 93.0%

2,6-difluoro-4-iodoaniline (141743-49-9) + phenylacetylene (536-74-3) → 2,6-difluoro-4-(2-phenylethynyl)phenylamine

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine; In tetrahydrofuran; at 60 ℃; for 1h;

upstream raw materials:

2,6-difluoroaniline

Downstream raw materials:

2-bromo-1,3-difluoro-4-iodobenzene

C₁₆H₈ClF₂IN₆

4-amino-3,5-difluorobenzonitrile

2,6-difluoro-1,4-diiodobenzene