2,3,5-Triiodobenzoyl chloride

Base Information

• Chemical Name: 2,3,5-Triiodobenzoyl chloride
• CAS No.: 42860-33-3
• Molecular Formula: C7H2ClI3O
• Molecular Weight: 518.259
• Hs Code.: 2916399090
• European Community (EC) Number: 673-230-8
• DSSTox Substance ID: DTXSID00375361
• Nikkaji Number: J1.825.525A
• Wikidata: Q82163890
• Mol file: 42860-33-3.mol

Synonyms:2,3,5-triiodobenzoyl chloride;42860-33-3;2,3,5-Triiodo-benzoyl chloride;Benzoyl chloride,2,3,5-triiodo-;SCHEMBL879357;DTXSID00375361;QGSBFOJSKVVSPS-UHFFFAOYSA-N;2,3,5-triiodobenzoic acid chloride;AKOS030240172;FT-0765729;AI-942/25034315

Chemical Property of 2,3,5-Triiodobenzoyl chloride

Chemical Property:

• Vapor Pressure: 8.69E-08mmHg at 25°C
• Melting Point: 85-88 °C
• Refractive Index: 1.764
• Boiling Point: 435.5 °C at 760 mmHg
• Flash Point: 217.2 °C
• PSA: 17.07000
• Density: 2.846 g/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: 188

Purity/Quality:

98%min ^*data from raw suppliers

CC000133:2,3,5-Triiodo-benzoylchloride 96 ^*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(=O)Cl)I)I)I

Technology Process of 2,3,5-Triiodobenzoyl chloride

There total 4 articles about 2,3,5-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: 85.0%

2,3,5-triiodobenzoic acid (88-82-4) → 2,3,5-tri-iodobenzoic acid chloride (42860-33-3)

Guidance literature:

With thionyl chloride;

DOI:10.1039/b606976b

Reference yield:

oxalyl dichloride (79-37-8) + 2,3,5-triiodobenzoic acid (88-82-4) → 2,3,5-tri-iodobenzoic acid chloride (42860-33-3)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide; toluene;

Reference yield:

2,3,5-triiodobenzamide → 2,3,5-tri-iodobenzoic acid chloride (42860-33-3)

Guidance literature:

With thionyl chloride; triethylamine; In tetrahydrofuran; at 80 ℃; for 2h;

DOI:10.1016/S0022-2860(01)00710-4

upstream raw materials:

2,3,5-triiodobenzoic acid

oxalyl dichloride

Downstream raw materials:

2-(2,3,5-triiodobenzoyloxy)-ethyl methacrylate

C₂₇H₂₁I₉N₄O₃

{ethoxycarbonylmethyl-[4-(2,3,5-triiodobenzoylamino)phenyl]amino}acetic acid ethyl ester

C₁₂H₉I₃O₄

Refernces

• 1、 -. "RESIST COMPOSITION AND PATTERNING PROCESS". Paragraph 0204-0205. . Retrieved 2020/08/13.
• 2、 -. "RESIST COMPOSITION AND PATTERNING PROCESS". Paragraph 0188-0189. . Retrieved 2019/12/25.