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Cas Database |
| Name |
Methyl 1-methyl-2-pyrroleacetate |
EINECS | 257-478-0 |
| CAS No. | 51856-79-2 | Density | 1.05 g/cm3 |
| PSA | 31.23000 | LogP | 0.74060 |
| Solubility | 8.3 g/L (20 °C ) in water | Melting Point |
≥210ºC |
| Formula | C8H11NO2 | Boiling Point | 242 °C at 760 mmHg |
| Molecular Weight | 153.181 | Flash Point | 88.8 °C |
| Transport Information | N/A | Appearance | Clear orange to slightly brown liquid |
| Safety | 26-37/39 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1-Methyl-2-pyrroleaceticacid methyl ester;Methyl (1-methyl-1H-pyrrol-2-yl)acetate;Methyl(1-methylpyrrol-2-yl)acetate;Methyl 1-methyl-1H-pyrrole-2-acetate;Methyl1-methylpyrrole-2-acetate;Methyl 2-(1-methylpyrrol-2-yl)acetate;MethylN-methyl-2-pyrrolylacetate; |
Article Data | 11 |
Methyl 1-methyl-2-pyrroleacetate Chemical Properties
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IUPAC Name: Methyl 2-(1-methylpyrrol-2-yl)acetate
Empirical Formula: C8H11NO2
Molecular Weight: 153.1784
Canonical SMILES: CN1C=CC=C1CC(=O)OC
InChI: InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3
InChIKey: CGYVDYLHQYNGFC-UHFFFAOYSA-N
XLogP3-AA: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.498
Molar Refractivity: 42.68 cm3
Molar Volume: 145.5 cm3
Surface Tension: 34.3 dyne/cm
Density: 1.05 g/cm3
Flash Point: 88.8 °C
Enthalpy of Vaporization: 47.9 kJ/mol
Boiling Point: 242 °C at 760 mmHg
Vapour Pressure: 0.0348 mmHg at 25 °C
Water Solubility of 1H-Pyrrole-2-aceticacid, 1-methyl-, methyl ester (CAS NO.51856-79-2): 8.3 g/L (20 ºC)
Methyl 1-methyl-2-pyrroleacetate Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany of 1H-Pyrrole-2-aceticacid, 1-methyl-, methyl ester (CAS NO.51856-79-2): 3
Methyl 1-methyl-2-pyrroleacetate Specification
1H-Pyrrole-2-aceticacid, 1-methyl-, methyl ester (CAS NO.51856-79-2), its Synonyms are Methyl 1-methylpyrrol-2-acetate ; Methyl (1-methyl-1H-pyrrol-2-yl)acetate ; Methyl 1-methyl-1H-pyrrole-2-acetate ; Methyl(1-methyl-2-pyrrolyl)acetate . It is clear orange to slightly brown liquid.
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