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Iophenoxic acid

Base Information Edit
  • Chemical Name:Iophenoxic acid
  • CAS No.:96-84-4
  • Molecular Formula:C11H11 I3 O3
  • Molecular Weight:571.92
  • Hs Code.:2918199090
  • European Community (EC) Number:625-411-8
  • UNII:73TJC7JGUY
  • DSSTox Substance ID:DTXSID1046265
  • Nikkaji Number:J4.725B
  • Wikidata:Q27266204
  • NCI Thesaurus Code:C90836
  • ChEMBL ID:CHEMBL1551165
  • Mol file:96-84-4.mol
Iophenoxic acid

Synonyms:alpha-ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid;iophenoxic acid

Suppliers and Price of Iophenoxic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Sigma-Aldrich
  • α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid 97%
  • 5g
  • $ 179.00
  • American Custom Chemicals Corporation
  • ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID 95.00%
  • 5G
  • $ 1164.14
Total 19 raw suppliers
Chemical Property of Iophenoxic acid Edit
Chemical Property:
  • Vapor Pressure:3.22E-09mmHg at 25°C 
  • Melting Point:146-148 °C(lit.)
     
  • Boiling Point:459°Cat760mmHg 
  • PKA:pKa 7.5(H2O,(extrap)) (Uncertain) 
  • Flash Point:231.4°C 
  • PSA:57.53000 
  • Density:2.471g/cm3 
  • LogP:3.85930 
  • XLogP3:4.2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:4
  • Exact Mass:571.7842
  • Heavy Atom Count:17
  • Complexity:275
Purity/Quality:

99.0% *data from raw suppliers

α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid 97% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes:Xn 
  • Statements: 22-36/37/38 
  • Safety Statements: 26-37/39 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC(CC1=C(C(=C(C=C1I)I)O)I)C(=O)O
  • Uses α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (iophenoxic acid ) was used as marker in “bait acceptance” studies conducted on various animal species. It was used in the direct quantitation of iophenoxic acid in porcine serum samples by a liquid chromatographic-electrospray ionization mass spectrometric technique.
Technology Process of Iophenoxic acid

There total 4 articles about Iophenoxic 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:
Guidance literature:
rac-2-(3-methoxybenzyl)butanoic acid; With sodium hydrogencarbonate; In methanol; dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;
With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In methanol; dichloromethane; at 20 ℃; for 17h; Inert atmosphere;
DOI:10.1002/chem.201705449
Guidance literature:
With Iodine monochloride; acetic acid;
DOI:10.1021/ja01101a029
Guidance literature:
Multi-step reaction with 2 steps
1.1: palladium diacetate; N-acetyl-β-alanine; silver(l) oxide; disodium phosphate heptahydrate / 20 - 80 °C / Schlenk technique; Inert atmosphere
2.1: sodium hydrogencarbonate / dichloromethane; methanol / 0.17 h / 20 °C / Inert atmosphere
2.2: 17 h / 20 °C / Inert atmosphere
With disodium phosphate heptahydrate; N-acetyl-β-alanine; palladium diacetate; sodium hydrogencarbonate; silver(l) oxide; In methanol; dichloromethane;
DOI:10.1002/chem.201705449
Refernces Edit
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