Sodium benzofuran isophthalate

Base Information

• Chemical Name: Sodium benzofuran isophthalate
• CAS No.: 124549-08-2
• Molecular Formula: C44H42 N2 O15
• Molecular Weight: 838.81
• DSSTox Substance ID: DTXSID101104187
• Nikkaji Number: J2.013.337F
• Wikidata: Q27123335
• Mol file: 124549-08-2.mol

Synonyms:SBFI;sodium benzofuran isophthalate;sodium-binding benzofuran isophthalate

Chemical Property of Sodium benzofuran isophthalate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >200℃
• Boiling Point: 1034.1°C at 760 mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 579.2°C
• PSA: 228.11000
• Density: 1.37g/cm³
• LogP: 6.82940
• Storage Temp.: −20°C
• Solubility.: Soluble in methanol, dimethyl sulfoxide
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 10
• Exact Mass: 838.25851864
• Heavy Atom Count: 61
• Complexity: 1380

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)C(=O)O)C(=O)O)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)O)C(=O)O)OC

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