3-Hydroxy-2,4,6-triiodobenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-2,4,6-triiodobenzoic acid
• CAS No.: 53279-72-4
• Molecular Formula: C7H3I3O3
• Molecular Weight: 515.813
• Hs Code.: 29181990
• European Community (EC) Number: 258-457-9
• NSC Number: 82352
• UNII: J4K8R33GPH
• DSSTox Substance ID: DTXSID70201401
• Nikkaji Number: J295.919D
• Wikidata: Q72482086
• Mol file: 53279-72-4.mol

Synonyms:3-Hydroxy-2,4,6-triiodobenzoic acid;53279-72-4;HTBA;2,4,6-triiodo-3-hydroxybenzoic acid;Benzoic acid, 3-hydroxy-2,4,6-triiodo-;C7H3I3O3;J4K8R33GPH;EINECS 258-457-9;MFCD00020305;NSC-82352;3-Hydroxy-2,4,6-triiodobenzoicacid;NSC82352;UNII-J4K8R33GPH;SCHEMBL126187;DTXSID70201401;BCP31460;C7-H3-I3-O3;NSC 82352;RB3061;STK374504;AKOS005447542;AC-25831;AS-62178;HY-15919;SY023825;A7751;AM20040647;FT-0615801;3-Hydroxy-2,4,6-triiodobenzoic acid (HTBA);H-4600;J-610022

Chemical Property of 3-Hydroxy-2,4,6-triiodobenzoic acid

Chemical Property:

• Vapor Pressure: 9.38E-07mmHg at 25°C
• Melting Point: 211-215 °C
• Boiling Point: 389.2 °C at 760 mmHg
• PKA: 1.22±0.10(Predicted)
• Flash Point: 189.2 °C
• PSA: 57.53000
• Density: 3.095 g/cm³
• LogP: 2.90420
• Storage Temp.: Store at -20
• Sensitive.: Light Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 515.7216
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

98%, ^*data from raw suppliers

3-Hydroxy-2,4,6-triiodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-41-37/38-22
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-2,4,6-triiodobenzoic acid

There total 2 articles about 3-Hydroxy-2,4,6-triiodobenzoic 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:

3-Carboxyphenol (99-06-9) → 3-hydroxy-2,4,6-triiodobenzoic acid (53279-72-4)

Guidance literature:

With ammonium hydroxide; Iodine monochloride; sodium chloride;

Reference yield:

→ 3-hydroxy-2,4,6-triiodobenzoic acid (53279-72-4)

Guidance literature:

entspr.Phenol, ICl, NH3;

Reference yield:

3-hydroxy-2,4,6-triiodobenzoic acid (53279-72-4) → 5-Hydroxymethyl-2,4-diiodo-phenol

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

upstream raw materials:

3-Carboxyphenol