2-Fluoro-6-iodobenzaldehyde

Base Information

• Chemical Name: 2-Fluoro-6-iodobenzaldehyde
• CAS No.: 146137-72-6
• Molecular Formula: C7H4FIO
• Molecular Weight: 250.011
• Hs Code.: 2913000090
• European Community (EC) Number: 625-195-5
• DSSTox Substance ID: DTXSID00455132
• Nikkaji Number: J3.115.787K
• Wikidata: Q72480244
• Mol file: 146137-72-6.mol

Synonyms:2-Fluoro-6-iodobenzaldehyde;146137-72-6;6-fluoro-2-iodobenzaldehyde;2-fluoro-6-iodo-benzaldehyde;2-iodo-6-fluorobenzaldehyde;2-fluoro-6-iodo benzaldehyde;SCHEMBL829563;Benzaldehyde, 2-fluoro-6-iodo-;AMY1721;DTXSID00455132;DUCCBZWPROUBNU-UHFFFAOYSA-N;2-Fluoro-6-iodobenzaldehyde, 97%;CL9629;MFCD07371506;AKOS005063513;CS-W012648;PS-7485;SB33700;FT-0648100;EN300-102337;A808455;J-509484;146137-72-6 pound>>74266-68-5

Chemical Property of 2-Fluoro-6-iodobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 36-40 °C
• Refractive Index: 1.64
• Boiling Point: 257.687 °C at 760 mmHg
• Flash Point: 109.646 °C
• PSA: 26.30000
• Density: 1.963 g/cm³
• LogP: 2.11230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.92909
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-6-iodobenzaldehyde 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25:
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-6-iodobenzaldehyde

There total 6 articles about 2-Fluoro-6-iodobenzaldehyde 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: 95.0%

(2-flioro-6-iodophenyl)methanol (911825-94-0) → 6-fluoro-2-iodobenzaldehyde (146137-72-6)

Guidance literature:

With dipyridinium dichromate; silica gel; In dichloromethane; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b03577

Reference yield: 83.0%

2-fluoro-6-iodobenzonitrile (79544-29-9) → 6-fluoro-2-iodobenzaldehyde (146137-72-6)

Guidance literature:

2-fluoro-6-iodobenzonitrile; With diisobutylaluminium hydride; In toluene; at -70 - 20 ℃; for 1.16667h;

With sulfuric acid; for 1h;

Reference yield: 77.0%

(Z)-N-(2-fluoro-6-iodobenzylidene)methanamine + 1-(2-fluoro-6-iodophenyl)-N,N′,N′-trimethyl-N-(trimethylsilyl)methanediamine + (E)-N-(2-fluoro-6-iodobenzylidene)methanamine → 6-fluoro-2-iodobenzaldehyde (146137-72-6)

Guidance literature:

With hydrogen bromide; In water; at 90 ℃; for 0.166667h;

DOI:10.1021/acs.joc.1c02397

upstream raw materials:

1-Fluoro-3-iodobenzene

N,N-dimethyl-formamide

2-fluoro-6-iodobenzonitrile

n-butyllithium

Downstream raw materials:

methyl 4-iodobenzo[b]thiophene-2-carboxylate

4-iodo-1H-indazole

4-iodo-1-methyl-1H-indazole

2-(2-fluoro-6-iodophenyl)-[1,3]dioxane