4-Chloro-3-iodobenzaldehyde

Base Information

• Chemical Name: 4-Chloro-3-iodobenzaldehyde
• CAS No.: 276866-90-1
• Molecular Formula: C7H4ClIO
• Molecular Weight: 266.466
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90459528
• Nikkaji Number: J1.285.012C
• Wikidata: Q82283312
• Mol file: 276866-90-1.mol

Synonyms:4-Chloro-3-iodobenzaldehyde;276866-90-1;Benzaldehyde, 4-chloro-3-iodo-;MFCD09836681;SCHEMBL12619109;DTXSID90459528;BLA86690;GEO-02514;AKOS005068131;DS-10171;FT-0731560;EN300-1725400;A924378;W-200271

Chemical Property of 4-Chloro-3-iodobenzaldehyde

Chemical Property:

• Melting Point: 117 °C
• Boiling Point: 304.0±27.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.971±0.06 g/cm3(Predicted)
• LogP: 2.75710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 265.89954
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99%min ^*data from raw suppliers

4-Chloro-3-iodobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-3-iodobenzaldehyde

There total 3 articles about 4-Chloro-3-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: 91.0%

4-chlorobenzaldehyde (104-88-1) → 4-chloro-3-iodobenzaldehyde (276866-90-1)

Guidance literature:

With sodium periodate; sulfuric acid; iodine; In acetic anhydride; acetic acid; at 20 ℃; for 8h;

DOI:10.1246/bcsj.73.951

Reference yield:

(4-chloro-3-iodo-phenyl)-methanol (104317-95-5) → 4-chloro-3-iodobenzaldehyde (276866-90-1)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃;

Reference yield:

4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-chloro-3-iodobenzaldehyde (276866-90-1)

Guidance literature:

With sodium dithionite; water; Diazotieren und Umsetzen mit waessr. Kaliumjodid;

upstream raw materials:

4-chloro-3-nitro-benzaldehyde

4-chlorobenzaldehyde

(4-chloro-3-iodo-phenyl)-methanol

Downstream raw materials:

(4-chloro-3-iodo-phenyl)-methanol

C₉H₈ClIO₂

4-chloro-3-iodobenzaldoxime

4-chloro-3-iodobenzoic acid

Refernces

• 1、 -. "Biphenyl derivatives acting on 5-HT7 receptor, preparation method thereof, and pharmaceutical composition comprising the same". Paragraph 0125; 0126; 0127. . Retrieved 2017/04/25.
• 2、 Kraszkiewicz, Lukasz,Sosnowski, Maciej,Skulski, Lech. "Oxidative iodination of deactivated arenes in concentrated sulfuric acid with I2/NaIO4 and KI/NaIO4 iodinating systems". . p. 1195 - 1199. Retrieved 2007/10/03.