423998
Methyl 1-pyrrolecarboxylate
98%
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About This Item
Empirical Formula (Hill Notation):
C6H7NO2
CAS Number:
Molecular Weight:
125.13
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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. Its reaction with pyrrole Grignard reagent and pyrrole-d4 Grignard reagent has been reported.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
140.0 °F - closed cup
Flash Point(C)
60 °C - closed cup
Regulatory Information
危险化学品
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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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