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Merck
CN

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

Key Documents

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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
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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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
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)
Wu Su et al.
Organic letters, 11(17), 3910-3913 (2009-08-13)
A facile and highly efficient solid phase synthesis method is reported for the preparation of hairpin DNA-binding polyamides using the cost-effective triphosgene (BTC) activating agent. Difficult polyamide sequences were prepared from N-methylimidazole (Im) and N-methylpyrrole (Py) building blocks with high
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
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