3,4-Diiodobenzoic acid

Base Information

• Chemical Name: 3,4-Diiodobenzoic acid
• CAS No.: 35674-20-5
• Molecular Formula: C7H4I2O2
• Molecular Weight: 373.917
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70189179
• Nikkaji Number: J2.303.138H
• Wikidata: Q72467134
• Mol file: 35674-20-5.mol

Synonyms:3,4-Diiodobenzoic acid;35674-20-5;Benzoic acid, 3,4-diiodo-;BRN 3240839;2-09-00-00241 (Beilstein Handbook Reference);CALCIUMOXALATEMONOHYDRATE;SCHEMBL2723610;DTXSID70189179;MFCD01661254;AKOS015890302;AS-82081;LS-37089;AM20040273;CS-0179572;FT-0654947;D84788;EN300-196922;A822935;Z1269131507

Chemical Property of 3,4-Diiodobenzoic acid

Chemical Property:

• Vapor Pressure: 1.78E-06mmHg at 25°C
• Melting Point: 257 °C
• Refractive Index: 1.741
• Boiling Point: 380.698 °C at 760 mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 184.04 °C
• PSA: 37.30000
• Density: 2.559 g/cm³
• LogP: 2.59400
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 373.83007
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Diiodobenzoicacid 95+% ^*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)O)I)I

Technology Process of 3,4-Diiodobenzoic acid

There total 10 articles about 3,4-Diiodobenzoic acid 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: 75.0%

4-amino-3-iodobenzoic acid (2122-63-6) → 3,4-diiodobenzoic acid (35674-20-5)

Guidance literature:

With sulfuric acid; potassium iodide; sodium nitrite;

DOI:10.1016/j.tetlet.2012.11.102

Reference yield: 67.0%

4-iodobenzoic acid (619-58-9) → 3,4-diiodobenzoic acid (35674-20-5)

Guidance literature:

With sodium periodate; sulfuric acid; iodine; at 25 - 30 ℃; for 1h;

DOI:10.1055/s-2006-926374

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 3,4-diiodobenzoic acid (35674-20-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium periodate; potassium iodide / water; methanol

2: potassium iodide; sodium nitrite; sulfuric acid

With sodium periodate; sulfuric acid; potassium iodide; sodium nitrite; In methanol; water;

DOI:10.1016/j.tetlet.2012.11.102

upstream raw materials:

3,4-diiodo-benzaldehyde

2-amino-4,5-diiodo-benzoic acid

4-iodobenzoic acid

4-iodo-2-nitro benzoic acid

Downstream raw materials:

C₂₄H₃₁NO₅

C₇H₆I₂O

C₈H₈I₂O₃S

C₁₄H₁₈I₂O₅

Refernces

• 1、 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.