Diethyl 3,4-propylenedioxypyrrole-2,5-dicarboxylate

Base Information

• Chemical Name: Diethyl 3,4-propylenedioxypyrrole-2,5-dicarboxylate
• CAS No.: 870704-20-4
• Molecular Formula: C₁₃H₁₇NO₆
• Molecular Weight: 283.281
• European Community (EC) Number: 635-938-5
• DSSTox Substance ID: DTXSID30584525
• Wikidata: Q82476198
• Mol file: 870704-20-4.mol

Synonyms:Diethyl 3,4-propylenedioxypyrrole-2,5-dicarboxylate;870704-20-4;diethyl 2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-c]pyrrole-6,8-dicarboxylate;DTXSID30584525;Diethyl 3,4-propylenedioxypyrrole-2,5-dicarboxylate, 95%;Diethyl 3,4-dihydro-2H,7H-[1,4]dioxepino[2,3-c]pyrrole-6,8-dicarboxylate

Chemical Property of Diethyl 3,4-propylenedioxypyrrole-2,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.48E-08mmHg at 25°C
• Melting Point: 74.0-75.5?°C(lit.)
• Boiling Point: 457.5±45.0 °C(Predicted)
• PKA: 12.63±0.20(Predicted)
• Density: 1.269±0.06 g/cm3(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 283.10558726
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

98%Min ^*data from raw suppliers

DIETHYL 3,4-PROPYLENEDIOXYPYRROLE-2,5-DICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C(=C(N1)C(=O)OCC)OCCCO2

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