CAS Registry Number: 7126-57-0

Name:

        1H-​Pyrrole-​2-​carboxylic acid, 4-​formyl-​, ethyl ester

        Pyrrole-​2-​carboxylic acid, 4-​formyl-​, ethyl ester (7CI,​8CI); 2-​Ethoxycarbonyl-​4-​formylpyrrole; 4-​Formyl-​1H-​pyrrole-​2-​carboxylic acid ethyl ester; 4-​Formylpyrrole-​2-​carboxylic acid ethyl ester; Ethyl 4-​formyl-​2-​pyrrolecarboxylate; NSC 272668 

InChI: InChI=1S/C8H9NO3/c1-2-12-8(11)7-3-6(5-10)4-9-7/h3-5,9H,2H2,1H3

InChIKey: WVSAWXIWWNJTAV-UHFFFAOYSA-N

Canonical SMILES : CCOC(=O)C1=CC(=CN1)C=O

 

Thermal Properties	Value	Condition	Note
Boiling Point	126-127 °C	Press: 0.05 Torr	(1)CAS
Melting Point	106-107 °C	Solv: ligroine (8032-32-4)	(1)CAS
Melting Point	101-102 °C	Solv: benzene (71-43-2); hexane (110-54-3)	(3)IC