3-Iodo-5-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 3-Iodo-5-(trifluoromethyl)benzaldehyde
• CAS No.: 868166-28-3
• Molecular Formula: C8H4 F3 I O
• Molecular Weight: 300.019
• Hs Code.: 2913000090
• European Community (EC) Number: 816-765-6
• DSSTox Substance ID: DTXSID30696874
• Wikidata: Q82626606
• Mol file: 868166-28-3.mol

Synonyms:3-iodo-5-(trifluoromethyl)benzaldehyde;868166-28-3;Benzaldehyde, 3-iodo-5-(trifluoromethyl)-;SCHEMBL3555426;DTXSID30696874;MFCD11977391;AB65145;3-iodanyl-5-(trifluoromethyl)benzaldehyde;PS-11519;CS-0100049;D76054;A841836

Chemical Property of 3-Iodo-5-(trifluoromethyl)benzaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 3.12250
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 299.92590
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-5-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)I)C=O

Technology Process of 3-Iodo-5-(trifluoromethyl)benzaldehyde

There total 1 articles about 3-Iodo-5-(trifluoromethyl)benzaldehyde 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:

[3-iodo-5-(trifluoromethyl)phenyl]methanol (868167-58-2) → 3-iodo-5-(trifluoromethyl)benzaldehyde (868166-28-3)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.666667h;

[3-iodo-5-(trifluoromethyl)phenyl]methanol; In dichloromethane; at -78 - -70 ℃; for 8h;

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

3-iodo-5-(trifluoromethyl)benzaldehyde (868166-28-3) + 3-amino-4-(2-methoxyphenyl)pyridine → C20H14F3IN2O

Guidance literature:

With potassium tert-butylate; In toluene; for 16h; Reflux; Dean-Stark;

upstream raw materials:

[3-iodo-5-(trifluoromethyl)phenyl]methanol

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