51856-79-2

Name Methyl 1-methyl-2-pyrroleacetate
CAS 51856-79-2
EINECS(EC#) 257-478-0
Molecular Formula C8H11NO2
MDL Number MFCD00009752
Molecular Weight 153.18
MOL File 51856-79-2.mol
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Chemical Properties

Appearance CLEAR ORANGE TO SLIGHTLY BROWN LIQUID
Boiling point  80-85 °C2 mm Hg(lit.)
density  1.064 g/mL at 25 °C(lit.)
refractive index  n20/D 1.501(lit.)
Fp  224 °F
storage temp.  2-8°C
solubility  8.3 g/L (20°C)
form  clear liquid
pka -3.42±0.70(Predicted)
color  Light yellow to Brown
Water Solubility  8.3 g/L (20 ºC)
Detection Methods GC,NMR
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
SMILES N1(C)C=CC=C1CC(OC)=O
LogP 0.886 (est)
CAS DataBase Reference 51856-79-2(CAS DataBase Reference)
NIST Chemistry Reference 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester(51856-79-2)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
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  3
HS Code  29333990

Hazard Information

Material Safety Data Sheet(MSDS)

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