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Merck
CN

M78801

N-Methylpyrrole

99%

Synonym(s):

1-Methyl-1H-pyrrole, N-Methylpyrrole

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About This Item

Empirical Formula (Hill Notation):
C5H7N
CAS Number:
96-54-8
Molecular Weight:
81.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24897193
EC Number:
202-513-7
Beilstein/REAXYS Number:
104181
MDL number:
MFCD00005345
Assay:
99%
Form:
liquid

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

vapor density

2.8 (vs air)

vapor pressure

15 mmHg ( 20.2 °C)

assay

99%

form

liquid

expl. lim.

6 %

bp

112-113 °C (lit.)

mp

−57 °C (lit.)

density

0.914 g/mL at 25 °C (lit.)

Related Categories

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

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5762
STBK5664
STBK1120
STBJ5589
STBH7681

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Gengo Kashiwazaki et al.
Bioorganic & medicinal chemistry, 17(3), 1393-1397 (2009-01-07)
We designed and synthesized alkylating conjugates 5-7 and their partner N-methylpyrrole-N-methylimidazole (PI) polyamides 8, 9. The DNA alkylating activities of conjugates 5-7 were evaluated by high-resolution denaturing polyacrylamide gel electrophoresis with a 219 base pair (bp) DNA fragment containing the
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
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
Michael A Marques et al.
Journal of the American Chemical Society, 126(33), 10339-10349 (2004-08-19)
The discrimination of the four Watson-Crick base pairs by minor groove DNA-binding polyamides have been attributed to the specificity of three five-membered aromatic amino acid subunits, 1-methyl-1H-imidazole (Im), 1-methyl-1H-pyrrole (Py), and 3-hydroxy-1H-pyrrole (Hp) paired four different ways. The search for
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