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Key Documents

W509973

Sigma-Aldrich

1-Methylpyrrole

≥99%

Synonym(s):

N-Methylpyrrole

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About This Item

Empirical Formula (Hill Notation):
C5H7N
CAS Number:
Molecular Weight:
81.12
Beilstein/REAXYS Number:
104181
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
14.023
NACRES:
NA.21

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

SMILES string

Cn1cccc1

InChI

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

InChI key

OXHNLMTVIGZXSG-UHFFFAOYSA-N

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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

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


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Nahoum G Anthony et al.
Journal of the American Chemical Society, 126(36), 11338-11349 (2004-09-10)
Isopropyl-thiazole ((iPr)Th) represents a new addition to the building blocks of nucleic acid minor groove-binding molecules. The DNA decamer duplex d(CGACTAGTCG)(2) is bound by a short lexitropsin of sequence formyl-PyPy(iPr)Th-Dp (where Py represents N-methyl pyrrole, (iPr)Th represents thiazole with an
William Buchmann et al.
Journal of mass spectrometry : JMS, 44(8), 1171-1181 (2009-05-02)
A new method for the determination of the relative affinity of a ligand against various dsDNA sequences is presented by using electrospray ionization time-of-flight mass spectrometry (ESI-QTOF) mass spectrometry. The principle is described here through the complexation of double-stranded DNA
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
Jiang Zhou et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 11(4), 1157-1162 (2004-12-30)
Electrospray ionization mass spectrometry (ESI-MS) was used to investigate noncovalent complexes formed between four novel polyamides containing N-methylpyrrole (Py) and N-methylimidazole (Im), and human telomeric DNA. Of the four polyamides investigated, PyPyPygammaImImImbetaDp (3) had the highest binding affinity towards the
Giovanni Piani et al.
The journal of physical chemistry. A, 113(52), 14554-14558 (2009-10-16)
We investigated the reaction dynamics of N-methylpyrrole (NMP) along the N-CH3 coordinate, upon excitation energies below 6.4 eV. Ours and previous experiments show clearly the existence of different reaction channels leading to slow and fast fragment production whose relative efficiency

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