Ethyl 4-formyl-1H-pyrrole-2-carboxylate
Properties
- Molecular formula
- C8H9NO3
- Molar mass
- 167.16 g/mol
- Exact mass
- 167.0582 Da
- Melting point
- 106–107 °C
- Boiling point
- 126–127 °C (at 0.05 Torr)
- logP
- 1.00Crippen estimate
- Polar surface area
- 59.2 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7126-57-0SMILES
CCOC(=O)c1cc(C=O)c[nH]1InChIKey
WVSAWXIWWNJTAV-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c1-2-12-8(11)7-3-6(5-10)4-9-7/h3-5,9H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1H-Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester
- Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester
- 2-Ethoxycarbonyl-4-formylpyrrole
- NSC 272668
- 4-Formylpyrrole-2-carboxylic acid ethyl ester
- Ethyl 4-formyl-2-pyrrolecarboxylate
- 4-Formyl-1H-pyrrole-2-carboxylic acid ethyl ester
Work with Ethyl 4-formyl-1H-pyrrole-2-carboxylate
Similar compounds
Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-662 % similar
Ethyl 4-Nitropyrrole-2-carboxylate5930-92-753 % similar
Ethyl imidazole-4-carboxylate23785-21-951 % similar
Ethyl pyrrole-2-carboxylate2199-43-149 % similar
3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-447 % similar
Triethyl 1,3,5-benzenetricarboxylate4105-92-446 % similar
Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-044 % similar
Ethyl 5-methylpyrrole-2-carboxylate3284-51-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.