1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
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1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
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CAS No:
2199-59-9
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Formula:
C10H13NO3
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Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
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Synonyms:
1H-Pyrrole-3-carboxylic acid,5-formyl-2,4-dimethyl-,ethyl ester;Pyrrole-3-carboxylic acid,5-formyl-2,4-dimethyl-,ethyl ester;Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate;Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate;Ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate;2,4-Dimethyl-3-ethoxycarbonyl-5-formylpyrrole;5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;NSC 13426;4-Ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde;Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
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CAS No:
1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester Basic Attributes
195.215
195.22
606-886-0
13426
DTXSID60176417
2933990090
Characteristics
59.16000
1.5
1.2±0.1 g/cm3
165 °C @ Solvent: Ethanol
358.4±42.0 °C at 760 mmHg
170.5±27.9 °C
1.556
2.56E-05mmHg at 25°C
Safety Information
Xi: Irritant;
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester Use and Manufacturing
5-ForMyl-2,4-diMethyl-1H-pyrrole-3-carboxylic Acid Ethyl Ester is used as an intermediate in the synthesis of receptor tyrosine kinase (RTK) inhibitors and their metabolites.
Computed Properties
Molecular Weight:195.21
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:195.08954328
Monoisotopic Mass:195.08954328
Topological Polar Surface Area:59.2
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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