Triiodoacetic acid

Base Information

• Chemical Name: Triiodoacetic acid
• CAS No.: 594-68-3
• Molecular Formula: C2H I3 O2
• Molecular Weight: 437.742
• European Community (EC) Number: 209-850-9
• UNII: 4A8GUP5482
• DSSTox Substance ID: DTXSID20208127
• Nikkaji Number: J136.518E
• Wikidata: Q83082219
• Mol file: 594-68-3.mol

Synonyms:Triiodoacetic acid;594-68-3;2,2,2-triiodoacetic acid;Triiodoacetic Acid (90per cent);4A8GUP5482;EINECS 209-850-9;Triiodoacetic Acid (90%);C2HI3O2;SCHEMBL360313;UNII-4A8GUP5482;DTXSID20208127;C2-H-I3-O2;AKOS030254253;ACETIC ACID, 2,2,2-TRIIODO-;FT-0675566

Chemical Property of Triiodoacetic acid

Chemical Property:

• Vapor Pressure: 9.27E-06mmHg at 25°C
• Melting Point: 135-140°C
• Boiling Point: 347.7°Cat760mmHg
• PKA: 1.29±0.41(Predicted)
• Flash Point: 164.1°C
• PSA: 37.30000
• Density: 3.884g/cm³
• LogP: 2.02980
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 437.7111
• Heavy Atom Count: 7
• Complexity: 83.4

Purity/Quality:

98%min ^*data from raw suppliers

TriiodoaceticAcid(90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(I)(I)I)O
• Uses: Disinfection byproducts (DBPs) produced in the chlorination or chloramination of drinking water.

Technology Process of Triiodoacetic acid

There total 5 articles about Triiodoacetic 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:

malonic acid (141-82-2) → triiodoacetic acid (594-68-3)

Guidance literature:

With water; iodic acid;

DOI:10.1021/jo01103a038

Reference yield:

diiodomalonic acid (62962-51-0) → triiodoacetic acid (594-68-3)

Guidance literature:

With water; iodine; iodic acid;

DOI:10.1021/jo01103a038

Reference yield:

malonic acid (141-82-2) → diiodoacetic acid (598-89-0) + triiodoacetic acid (594-68-3)

Guidance literature:

With iodic acid;

upstream raw materials:

malonic acid

diiodomalonic acid

iodic acid

Downstream raw materials:

iodoform

methylammonium carbonate

iodine

carbon dioxide