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Merck
CN

W509973

1-Methylpyrrole

≥99%

Synonym(s):

N-Methylpyrrole

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About This Item

Empirical Formula (Hill Notation):
C5H7N
CAS Number:
96-54-8
Molecular Weight:
81.12
NACRES:
NA.21
Flavis number:
14.023
PubChem Substance ID:
24902047
UNSPSC Code:
12164502
EC Number:
202-513-7
MDL number:
MFCD00005345
Beilstein/REAXYS Number:
104181

Key Documents

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InChI key

OXHNLMTVIGZXSG-UHFFFAOYSA-N

InChI

1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

SMILES string

Cn1cccc1

biological source

synthetic

vapor density

2.8 (vs air)

vapor pressure

15 mmHg ( 20.2 °C)

assay

≥99%

expl. lim.

6 %

bp

112-113 °C (lit.)

mp

−57 °C (lit.)

density

0.914 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

herbaceous; woody; smoky

Quality Level

400

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

60.8 °F - closed cup

flash_point_c

16 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW2335V
MKBS2582V
MKBM1436V
MKBL4730V
MKBK8552V

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Huihui Li et al.
Journal of the American Society for Mass Spectrometry, 17(1), 9-14 (2005-12-13)
Electrospray ionization (ESI) mass spectrometry was utilized to investigate noncovalent complexes between beta-cyclodextrin (beta-CD) and five novel polyamide acids containing N-methylpyrrole and N-methylimidazole. The 1:1 binding mode was specified by examining the binding stoichiometry from ESI mass spectra. It found
Nada F Atta et al.
Analytical biochemistry, 400(1), 78-88 (2010-01-13)
An interesting electrochemical sensor has been constructed by the electrodeposition of palladium nanoclusters (Pd(nano)) on poly(N-methylpyrrole) (PMPy) film-coated platinum (Pt) electrode. Cyclic voltammetry, electrochemical impedance spectroscopy (EIS), and scanning electron microscopy were used to characterize the properties of the modified
Toshikazu Bando et al.
Journal of the American Chemical Society, 126(29), 8948-8955 (2004-07-22)
Conjugates 12S and 12R of N-methylpyrrole (Py)-N-methylimidazole (Im) seven-ringed hairpin polyamide with both enantiomers of 1,2,9,9a-tetrahydrocyclopropa[1,2-c]benz[1,2-e]indol-4-one (CBI) were synthesized, and their DNA alkylating activity was examined. High-resolution denaturing gel electrophoresis revealed that 12S selectively and efficiently alkylated at one match
Shigeki Nishijima et al.
Bioorganic & medicinal chemistry, 18(2), 978-983 (2009-12-22)
In order to investigate the influence of molecular size and pyrrole (Py)/imidazole (Im) content on the cell permeability of Py-Im-polyamide-fluorescein conjugates we systematically designed the Py-polyamides and Im-polyamides. Flow cytometric analysis revealed that Py-polyamides, even those with large molecular size
Zhonghua Ji et al.
The journal of physical chemistry. B, 109(36), 17162-17168 (2006-07-21)
Electrochemical oxidization mechanism of polyamides containing N-methylpyrrole and N-methylimidazole was investigated by electrospray ionization tandem mass spectrometry (ESI-MS(n)). The spectra of the oxidization products unambiguously revealed that one or two oxygen atoms are added to the polyamide after the bulk
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