Ethyl 4-formyl-1H-pyrrole-2-carboxylate
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Ethyl 4-formyl-1H-pyrrole-2-carboxylate
structure -
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CAS No:
7126-57-0
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Formula:
C8H9NO3
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Chemical Name:
Ethyl 4-formyl-1H-pyrrole-2-carboxylate
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Synonyms:
1H-Pyrrole-2-carboxylic acid,4-formyl-,ethyl ester;Pyrrole-2-carboxylic acid,4-formyl-,ethyl ester;Ethyl 4-formyl-1H-pyrrole-2-carboxylate;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
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CAS No:
Ethyl 4-formyl-1H-pyrrole-2-carboxylate Basic Attributes
166.15
167.16
1533716-785-6
272668
DTXSID10313577
2933990090
Characteristics
59.2
0.7
1.2±0.1 g/cm3
106-107 °C @ Solvent: Ligroine
126-127 °C @ Press: 0.05 Torr
156.5±23.7 °C
1.569
Miscible with ethyl acetate.
Safety Information
NONH for all modes of transport
3
43
37
Xi
P280
H317
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:167.16
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:59.2
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 4-formyl-1H-pyrrole-2-carboxylate
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