Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
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Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
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CAS No:
2199-51-1
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Formula:
C9H13NO2
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Chemical Name:
Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
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Synonyms:
1H-Pyrrole-3-carboxylic acid,2,4-dimethyl-,ethyl ester;Pyrrole-3-carboxylic acid,2,4-dimethyl-,ethyl ester;Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate;2,4-Dimethyl-3-carbethoxypyrrole;Ethyl 2,4-dimethylpyrrole-3-carboxylate;2,4-Dimethyl-3-(ethoxycarbonyl)pyrrole;3-(Ethoxycarbonyl)-2,4-dimethylpyrrole;2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;NSC 13425
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CAS No:
Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate Basic Attributes
167.205
167.21
606-885-5
13425
DTXSID80176414
2933990090
Characteristics
42.09000
1.7
Red crystal
1.1±0.1 g/cm3
157-158 °C
159-160 °C @ Press: 10 Torr
129.8±25.9 °C
1.516
0.002mmHg at 25°C
Safety Information
R36/37/38
26-36/37/39
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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.
Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate Use and Manufacturing
ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate is used in the preparation of blue pyrrole dyes. It is also used as an intermediate in the synt hesis of receptor tyrosine kinase (RTK) inhibitors and their metabolites.
Computed Properties
Molecular Weight:167.20
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:42.1
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
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