3,4,5-Triiodobenzoyl chloride

Base Information

• Chemical Name: 3,4,5-Triiodobenzoyl chloride
• CAS No.: 22205-68-1
• Molecular Formula: C7H2 Cl I3 O
• Molecular Weight: 518.2566
• Hs Code.: 2916399090
• European Community (EC) Number: 683-713-5
• NSC Number: 89298
• UNII: 3G55QVU7JY
• DSSTox Substance ID: DTXSID80176757
• Nikkaji Number: J41.857I
• Wikidata: Q83047050
• Mol file: 22205-68-1.mol

Synonyms:3,4,5-Triiodobenzoyl chloride;22205-68-1;BENZOYL CHLORIDE, 3,4,5-TRIIODO-;NSC 89298;BRN 2450573;3G55QVU7JY;NSC-89298;3-09-00-01461 (Beilstein Handbook Reference);3,4,5-Triiodobenzoylchloride;NSC89298;C7H2ClI3O;UNII-3G55QVU7JY;WLN: IR BI CI EVG;3,5-Triiodobenzoyl chloride;C7-H2-Cl-I3-O;Benzoyl chloride,4,5-triiodo-;SCHEMBL4265740;DTXSID80176757;AKOS024399323;LS-42614

Chemical Property of 3,4,5-Triiodobenzoyl chloride

Chemical Property:

• Vapor Pressure: 3.27E-07mmHg at 25°C
• Boiling Point: 418.5°Cat760mmHg
• Flash Point: 206.9°C
• PSA: 17.07000
• Density: 2.846g/cm³
• LogP: 3.87940
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 517.6928
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-TRIIODOBENZOYL CHLORIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1I)I)I)C(=O)Cl

Technology Process of 3,4,5-Triiodobenzoyl chloride

There total 2 articles about 3,4,5-Triiodobenzoyl chloride 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:

3,4,5-triiodobenzoic acid (2338-20-7) → 3,4,5-triiodobenzoyl chloride (22205-68-1)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jo01211a004

Reference yield:

→ 3,4,5-triiodobenzoyl chloride (22205-68-1)

Guidance literature:

3,4,5-Trijodbenzoesaeure, SOCl2;

Reference yield: 95.0%

3,4,5-triiodobenzoyl chloride (22205-68-1) → 3,4,5-triiodobenzoyl azide

Guidance literature:

With sodium azide; In water; acetone; at 0 - 20 ℃; for 1.5h;

DOI:10.1039/c6ra17860j

upstream raw materials:

3,4,5-triiodobenzoic acid

Downstream raw materials:

3,4,5-triiodo-benzoic acid-(3,7,11,15,19,23,27,31,35-nonamethyl-hexatriaconta-2t,6t,10t,14t,18t,22t,26t,30t,34-nonaenyl ester)

3,4,5-triiodo-benzoic acid ethyl ester

Refernces

• 1、 Carnmalm,Gyllander,Jonsson,Mikiver. "Potential X ray contrast agents. II. Synthesis of some basic derivatives of 3,5 diiodo 4 pyridone". . p. 49 - 52,50,51. Retrieved 2007/10/05.