Ethyl 5-formyl-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-formyl-1H-imidazole-4-carboxylate
• CAS No.: 137159-36-5
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.15
• Hs Code.: 2933290090
• European Community (EC) Number: 891-353-7
• DSSTox Substance ID: DTXSID50566904
• Nikkaji Number: J2.211.040C
• Wikidata: Q82452674
• Mol file: 137159-36-5.mol

Synonyms:Ethyl 5-formyl-1H-imidazole-4-carboxylate;137159-36-5;1H-Imidazole-4-carboxylic acid, 5-formyl-, ethyl ester;5-FORMYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;SCHEMBL2558861;DTXSID50566904;BCP19403;MFCD14636082;MFCD23115224;AKOS015999931;AKOS027473656;AM86168;AS-69610;Ethyl5-formyl-1H-imidazole-4-carboxylate;ethyl 4-formyl-1H-imidazole-5-carboxylate;EN300-126142;A886550;1H-Imidazole-5-carboxylic acid, 4-formyl-, ethyl ester;Z1255404782

Chemical Property of Ethyl 5-formyl-1H-imidazole-4-carboxylate

Chemical Property:

• Melting Point: 212 °C
• Boiling Point: 425.4±30.0 °C(Predicted)
• PKA: 8.82±0.10(Predicted)
• PSA: 72.05000
• Density: 1.323±0.06 g/cm3(Predicted)
• LogP: 0.39890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

Ethyl5-formyl-1H-imidazole-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC=N1)C=O