Tetraethyl 1,1'-(1,1'-biphenyl-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)

Base Information

• Chemical Name: Tetraethyl 1,1'-(1,1'-biphenyl-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
• CAS No.: 56913-55-4
• Molecular Formula: C36H40N2O8
• Molecular Weight: 628.71
• European Community (EC) Number: 621-798-2
• DSSTox Substance ID: DTXSID50407505
• Mol file: 56913-55-4.mol

Synonyms:56913-55-4;Tetraethyl 1,1'-(1,1'-biphenyl-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate);diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate;AA-504/33314014;DTXSID50407505;diethyl 1-{4'-[3,4-bis(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl][1,1'-biphenyl]-4-yl}-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate;Tetraethyl 1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)

Chemical Property of Tetraethyl 1,1'-(1,1'-biphenyl-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)

Chemical Property:

• Melting Point: 215-218 °C(lit.)
• Refractive Index: 1.573
• Boiling Point: 688.4°Cat760mmHg
• Flash Point: 370.1°C
• PSA: 115.06000
• Density: 1.19g/cm³
• LogP: 6.87540
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 628.27846624
• Heavy Atom Count: 46
• Complexity: 911

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)C2=CC=C(C=C2)C3=CC=C(C=C3)N4C(=C(C(=C4C)C(=O)OCC)C(=O)OCC)C)C