Iodophthalein

Base Information

• Chemical Name: Iodophthalein
• CAS No.: 386-17-4
• Molecular Formula: C20H10 I4 O4
• Molecular Weight: 821.915
• European Community (EC) Number: 206-857-9
• NSC Number: 4904
• UNII: R2CC46UA50
• DSSTox Substance ID: DTXSID10971479
• Nikkaji Number: J22.270D
• Wikidata: Q19286247
• ChEMBL ID: CHEMBL1325961
• Mol file: 386-17-4.mol

Synonyms:iodophthalein;iodophthalein, 131I-labeled;iodophthalein, disodium salt

Chemical Property of Iodophthalein

Chemical Property:

• Melting Point: 268 °C (dec.)(lit.)
• Boiling Point: 658.1°Cat760mmHg
• PKA: 6.37±0.40(Predicted)
• Flash Point: 351.8°C
• PSA: 66.76000
• Density: 2.67g/cm³
• LogP: 5.97850
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 821.6758
• Heavy Atom Count: 28
• Complexity: 551

Purity/Quality:

98%,99%, ^*data from raw suppliers

3'',3'''',5'',5''''-Tetraiodophenolphthalein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I
• Uses: 3'',3'''',5'',5''''-Tetraiodophenolphthalein (CAS# 386-17-4) is a derivative of phenolphthalein (P318010), an indicator and dye. 3'',3'''',5'',5''''-Tetraiodophenolphthalein has been explored for use as a prototype drug for group of structurally related calcium channel blockers in human platelets.

Technology Process of Iodophthalein

There total 4 articles about Iodophthalein 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:

phenolphthalin (81-90-3) → 3,3-bis(4-hydroxy-3,5-diiodophenyl)isobenzofuran-1(3H)-one (386-17-4,561-28-4)

Guidance literature:

With alkali; Jodierung;

Reference yield:

→ 3,3-bis(4-hydroxy-3,5-diiodophenyl)isobenzofuran-1(3H)-one (386-17-4,561-28-4)

Guidance literature:

With hydrogenchloride; water; Iodine monochloride;

Reference yield:

phenolphthalin (81-90-3) → 3,3-bis(4-hydroxy-3,5-diiodophenyl)isobenzofuran-1(3H)-one (386-17-4,561-28-4)

Guidance literature:

With ethanol;

upstream raw materials:

phenolphthalin