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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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Electrospray negative ionization mass spectrometry of polyamides containing N-methylpyrrole and N-methylimidazole.
Jun Wang et al.
Journal of mass spectrometry : JMS, 40(5), 688-689 (2005-01-28)
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
E E Ferapontova et al.
Biosensors & bioelectronics, 24(3), 422-428 (2008-06-11)
The molecular conformation of a synthetic branched, 4-way DNA Holliday junction (HJ) was electrochemically switched between the open and closed (stacked) conformers. Switching was achieved by electrochemically induced quantitative release of Mg(2+) ions from the oxidised poly(N-methylpyrrole) film (PPy), which
Mingyu Niu et al.
Rapid communications in mass spectrometry : RCM, 20(7), 1077-1081 (2006-02-25)
Different negative fragmentations of synthesized polyamides containing N-methylpyrrole and N-methylimidazole were analyzed by electrospray ionization tandem mass spectrometry with low-energy collision-induced dissociation. An interesting rearrangement derived from amino catalysis of N-methylimidazole was observed. The observation is useful for the study
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