2-Hydroxy-4-iodobenzoic acid

Base Information

• Chemical Name: 2-Hydroxy-4-iodobenzoic acid
• CAS No.: 16870-28-3
• Molecular Formula: C7H5IO3
• Molecular Weight: 264.019
• Hs Code.: 2918290000
• European Community (EC) Number: 605-527-5
• NSC Number: 109096
• DSSTox Substance ID: DTXSID00168598
• Nikkaji Number: J1.245.207A
• Wikidata: Q229989
• Mol file: 16870-28-3.mol

Synonyms:4-iodosalicylic acid

Chemical Property of 2-Hydroxy-4-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 6.84E-06mmHg at 25°C
• Melting Point: 230 °C
• Refractive Index: 1.712
• Boiling Point: 362.569 °C at 760 mmHg
• PKA: 2.70±0.10(Predicted)
• Flash Point: 173.076 °C
• PSA: 57.53000
• Density: 2.156 g/cm³
• LogP: 1.69500
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 263.92834
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxy-4-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)O)C(=O)O

Technology Process of 2-Hydroxy-4-iodobenzoic acid

There total 11 articles about 2-Hydroxy-4-iodobenzoic 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: 92.0%

methyl 4-iodosalicylate (18179-39-0) → 4-iodosalicylic acid (16870-28-3)

Guidance literature:

With sodium hydroxide; water; In tetrahydrofuran; methanol; at 40 ℃;

Reference yield: 85.0%

4-Aminosalicylic acid (65-49-6) → 4-iodosalicylic acid (16870-28-3)

Guidance literature:

4-Aminosalicylic acid; With sulfuric acid; sodium nitrite; In water; at -5 ℃; for 0.333333h;

With sulfuric acid; potassium iodide; In water; at 70 ℃; for 0.333333h;

Reference yield: 49.0%

4-iodosalicylaldehyde (38170-02-4) → 4-iodosalicylic acid (16870-28-3)

Guidance literature:

With potassium hydroxide; silver nitrate; In water; at 20 ℃;

DOI:10.1246/bcsj.73.417

upstream raw materials:

2-methoxy-4-iodobenzoic acid

ethyl 2-hydroxy-4-iodobenzoate

4-Aminosalicylic acid

salicylic acid

Downstream raw materials:

2-methoxy-4-iodobenzoic acid

2-hydroxy-4-iodobenzoyl chloride

benzyl 2-(benzyloxy)-4-iodobenzoate