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423998

Sigma-Aldrich

Methyl 1-pyrrolecarboxylate

98%

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About This Item

Empirical Formula (Hill Notation):
C6H7NO2
CAS Number:
4277-63-8
Molecular Weight:
125.13
EC Number:
224-281-6
MDL number:
MFCD00126403
UNSPSC Code:
12352100
PubChem Substance ID:
24866544
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.489 (lit.)

bp

180 °C/770 mmHg (lit.)

density

1.113 g/mL at 25 °C (lit.)

SMILES string

COC(=O)n1cccc1

InChI

1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3

InChI key

MORALDOSFHZOQS-UHFFFAOYSA-N

General description

Methyl 1-pyrrolecarboxylate (M1PC) is an alkyl pyrrolecarboxylate. Its standard enthalpy of formation has been evaluated by calorimetric and computational determinations.[1] Its reaction with pyrrole Grignard reagent and pyrrole-d4 Grignard reagent has been reported.[2]

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

140.0 °F - closed cup

flash_point_c

60 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN6447
SHBH1266V
SHBH0660V
SHBF8674V
SHBD6006V

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Molecular Energetics of Alkyl Pyrrolecarboxylates: Calorimetric and Computational Study.
Santos AFLOM and Ribeiro da Silva MAV.
The Journal of Physical Chemistry A, 117(24), 5195-5204 (2013)
Pyrrole Chemistry. Part XII. The Mechanism of the Reaction Between the Pyrrole Grignard Reagent and Acylating Agents.
Loader CE and Anderson HJ.
Canadian Journal of Chemistry, 49(7), 1064-1069 (1971)

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