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

Base Information

• Chemical Name: 3-Amino-2,4,6-triiodobenzoic acid
• CAS No.: 3119-15-1
• Molecular Formula: C7H4I3NO2
• Molecular Weight: 514.828
• Hs Code.: 2922493800
• European Community (EC) Number: 221-493-0
• NSC Number: 60105
• UNII: 99H77D8MTD
• DSSTox Substance ID: DTXSID60185120
• Nikkaji Number: J76.318G
• Wikidata: Q27272211
• Mol file: 3119-15-1.mol

Synonyms:3-amino-2,4,6-triiodobenzoic acid;3-amino-2,4,6-triiodobenzoic acid monosodium salt

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

Chemical Property:

• Appearance/Colour: Light yellow to tan powder
• Vapor Pressure: 5.6E-10mmHg at 25°C
• Melting Point: 196-199 °C
• Boiling Point: 478.9 °C at 760 mmHg
• PKA: 1.50±0.10(Predicted)
• Flash Point: 243.4 °C
• PSA: 63.32000
• Density: 3.02 g/cm³
• LogP: 3.36200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 514.7376
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1I)N)I)C(=O)O)I
• Uses: 3-Amino-2,4,6-triiodobenzoic Acid is used to prepare polymeric hydrogel based particles used in vascular embolization. 3-Amino-2,4,6-triiodobenzoic acid is used to prepare polymeric hydrogel based particles used in vascular embolization. It can be used in agrochemical, pharmaceutical and dyestuff field.

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

There total 4 articles about 3-Amino-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:

meta-aminobenzoic acid (99-05-8,159139-79-4) → 3-amino-2,4,6-triiodobenzoic acid (3119-15-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; Iodine monochloride;

Reference yield:

acetrizoic acid (85-36-9) → 3-amino-2,4,6-triiodobenzoic acid (3119-15-1)

Guidance literature:

With sulfuric acid;

Reference yield:

iodine (7553-56-2,12190-71-5,8031-47-8) + iodic acid (7782-68-5) + meta-aminobenzoic acid (99-05-8,159139-79-4) → 3-amino-2,4,6-triiodobenzoic acid (3119-15-1)

Guidance literature:

upstream raw materials:

meta-aminobenzoic acid

acetrizoic acid

iodine

iodic acid

Downstream raw materials:

2,4,6-triiodo-benzoic acid

3-isobutyrylamino-2,4,6-triiodo-benzoic acid

3-<<6-<(chloroacetyl)amino>-1-oxohexyl>amino>-2,4,6-triiodobenzoic acid

2,4,6-triiodo-benzoyl chloride

Refernces