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51856-79-2

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Basic Information
CAS No.: 51856-79-2
Name: Methyl 1-methyl-2-pyrroleacetate
Article Data: 11
Molecular Structure:
Molecular Structure of 51856-79-2 (Methyl 1-methyl-2-pyrroleacetate)
Formula: C8H11NO2
Molecular Weight: 153.181
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;
EINECS: 257-478-0
Density: 1.05 g/cm3
Melting Point: ≥210ºC
Boiling Point: 242 °C at 760 mmHg
Flash Point: 88.8 °C
Solubility: 8.3 g/L (20 °C ) in water
Appearance: Clear orange to slightly brown liquid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26-37/39
PSA: 31.23000
LogP: 0.74060
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Chemistry


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)

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
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

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.