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Key Documents

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Safety Information

W509973

Sigma-Aldrich

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
Beilstein:
104181
EC Number:
202-513-7
MDL number:
MFCD00005345
UNSPSC Code:
12164502
PubChem Substance ID:
24902047
Flavis number:
14.023
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302,H315

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

60.8 °F - closed cup

Flash Point(C)

16 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW2335V
MKBS2582V
MKBM1436V
MKBL4730V
MKBK8552V

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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
Huihui Li et al.
Rapid communications in mass spectrometry : RCM, 20(11), 1736-1740 (2006-05-06)
Eight novel polyamides containing N-methylpyrrole were designed to target the sequence (5'-CTGCATATAAGCAG-3'/5'-CTGCTTATATGCAG-3') of the TATA box element of the HIV-1 promoter DNA. The non-covalent complexes of the promoter DNA and the polyamides were investigated by electrospray ionization (ESI) mass spectrometry
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
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
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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