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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 640310Generated: October 26, 2026

methyl 4-formyl-1H-pyrrole-2-carboxylate

methyl 4-formyl-1H-pyrrole-2-carboxylate · 4-Formylpyrrole-2-carboxylic acid methyl ester · 2-Carbomethoxypyrrole-4-carboxaldehyde · 4-ForMyl-1H-Pyrrole-2-carboxylicacidMethylester · 1H-Pyrrole-2-carboxylic acid, 4-forMyl-, Methyl ester · 1H-Pyrrole-2-carboxylicacid,4-formyl-,methylester(9CI)

https://huagongshe.com/en/chemical/640310

methyl 4-formyl-1H-pyrrole-2-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.40611-79-8
Molecular formulaC7H7NO3
Average molar mass153.14 g/mol
Monoisotopic mass153.04259309 g/mol
SMILESCOC(=O)c1cc(C=O)c[nH]1
InChIKeyMIBDQVZPRVDXQP-UHFFFAOYSA-N
PubChem CID640310
EC No.695-472-3
DTXSIDDTXSID60348718

Chemical & Physical Properties

XLogP0.4
Topological polar surface area59.2
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms11
Formal charge0
Complexity169
Melting point124-125°
Boiling point328.5±27.0 °C(Predicted)
Density1.305±0.06 g/cm3(Predicted)
Storage conditionsunder inert gas (nitrogen or Argon) at 2-8°C
pKa (acidity coefficient)13.66±0.50(Predicted)
AppearanceLight brown to yellow Solid
InChIInChI=1S/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H3
InChIKeyMIBDQVZPRVDXQP-UHFFFAOYSA-N
SMILESN1C=C(C=O)C=C1C(OC)=O
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH317
GHS precautionary statementsP261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard classIRRITANT
Customs code2933998090

Safety & Regulations

GHS classificationWarningH317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
Customs code2933998090
Signal wordWarning
GHS pictogramGHS07
Hazard classIRRITANT
GHS hazard statementsH317
GHS precautionary statementsP261-P272-P280-P302+P352-P333+P313-P321-P363-P501