3-Fluoro-2-iodoaniline

Base Information

• Chemical Name: 3-Fluoro-2-iodoaniline
• CAS No.: 706752-99-0
• Molecular Formula: C₆H₅FIN
• Molecular Weight: 237.015
• Hs Code.: 2921420090
• European Community (EC) Number: 899-886-7
• Nikkaji Number: J2.685.925E

Synonyms:3-Fluoro-2-iodoaniline;706752-99-0;3-fluoro-2-iodo-aniline;MFCD08458368;Benzenamine, 3-fluoro-2-iodo-;3-Fluoro-2-iodo-phenylamine;2-IODO-3-FLUOROANILINE;SCHEMBL1964436;WFIMPUNNSNCOAZ-UHFFFAOYSA-N;AKOS005064109;AC-3678;DS-12259;SY112678;DB-331266;EN300-113326;J-512456

Chemical Property of 3-Fluoro-2-iodoaniline

Chemical Property:

• Melting Point: 52-54℃
• Boiling Point: 264.3 °C at 760 mmHg
• PKA: 1.52±0.10(Predicted)
• Flash Point: 113.7 °C
• PSA: 26.02000
• Density: 2.008 g/cm³
• LogP: 2.59370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Fluoro-2-iodoaniline

There total 4 articles about 3-Fluoro-2-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%

1-Fluoro-3-nitroiodobenzene (122455-36-1) → 3-fluoro-2-iodoaniline (706752-99-0)

Guidance literature:

With hydrogenchloride; iron; In ethanol; Heating / reflux;

Reference yield: 86.0%

2,2,2-trifluoro-N-(3-fluoro-2-iodophenyl)acetamide (1244652-16-1) → 3-fluoro-2-iodoaniline (706752-99-0)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Reflux;

DOI:10.1021/jo200406f

Reference yield:

2,2,2-trifluoro-N-(3-fluorophenyl)acetamide (35980-21-3) → 3-fluoro-2-iodoaniline (706752-99-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium / tetrahydrofuran; hexane / 0.67 h / -80 - -70 °C

1.2: -80 - 20 °C

2.1: sodium hydroxide / ethanol / 2 h / Reflux

With N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium; sodium hydroxide; In tetrahydrofuran; ethanol; hexane;

DOI:10.1021/jo200406f

upstream raw materials:

1-Fluoro-3-nitroiodobenzene

2,2,2-trifluoro-N-(3-fluoro-2-iodophenyl)acetamide

2,2,2-trifluoro-N-(3-fluorophenyl)acetamide

meta-fluoroaniline

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