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CAS No.: | 2436-79-5 |
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Name: | Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C12H17NO4 |
Molecular Weight: | 239.271 |
Synonyms: | 1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, diethyl ester (9CI);Pyrrole-2,4-dicarboxylic acid,3,5-dimethyl-, diethyl ester (6CI,7CI,8CI);2,4-Diethoxycarbonyl-3,5-dimethylpyrrole;2,4-Dimethyl-3,5-dicarbethoxypyrrole;3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester;Diethyl 3,5-dimethylpyrrole-2,4-dicarboxylate;Knorr's pyrrole;NSC 2046;NSC 5685; |
EINECS: | 219-431-2 |
Density: | 1.144 g/cm3 |
Melting Point: | 135-136 °C(lit.) |
Boiling Point: | 372.3 °C at 760 mmHg |
Flash Point: | 179 °C |
Appearance: | light yellow to light pink |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 68.39000 |
LogP: | 1.98490 |
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IUPAC Name: Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Following is the structure of 1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2,4-diethyl ester (CAS NO.2436-79-5):
Empirical Formula: C12H17NO4
Molecular Weight: 239.2677
Index of Refraction: 1.515
Molar Volume: 209.1 cm3
Molar Refractivity: 63.14 cm3
Polarizability: 25.03 10-24cm3
Density: 1.144 g/cm3
Flash Point: 179 °C
Melting point: 135-136 °C
Surface Tension: 41.7 dyne/cm
Enthalpy of Vaporization: 61.95 kJ/mol
Boiling Point: 372.3 °C at 760 mmHg
Vapour Pressure: 9.69E-06 mmHg at 25 °C
Appearance of 1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2,4-diethyl ester (CAS NO.2436-79-5): light yellow to light pink
Product Categories: Pharmaceutical Intermediates; Pharmaceutial intermediates; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Building Blocks; Heterocyclic Building Blocks; Pyrroles
Canonical SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C
InChI: InChI=1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3
InChIKey: XSBSXJAYEPDGSF-UHFFFAOYSA-N
1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2,4-diethyl ester (CAS NO.2436-79-5) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant
1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2,4-diethyl ester , its cas register number 2436-79-5. It also can be called Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate ; 3,5-Dimethyl-1H-Pyrrole-2,4-dicarboxylic acid diethyl ester ; and Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate .
1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2,4-diethyl ester (CAS NO.2436-79-5) could be stable under normal temperatures and pressures. It should avoid the condition like strong oxidants. And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases.