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Merck

8.20832

1-Methylpyrrole

for synthesis

Synonym(s):

1-Methylpyrrole, N-Methylpyrrole

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About This Item

Empirical Formula (Hill Notation):
C5H7N
CAS Number:
Molecular Weight:
81.12
UNSPSC Code:
12352005
EC Index Number:
202-513-7
NACRES:
NA.22
MDL number:
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Quality Level

assay

≥99.0% (GC)

form

liquid

autoignition temp.

400 °C

potency

1400 mg/kg LD50, oral (Rat), >400 mg/kg LD50, skin (Rabbit)

expl. lim.

1.4-8.5 % (v/v)

pH

10.4 (10 °C, 10 g/L in H2O)

bp

111-113 °C/1013 hPa

mp

-57 °C

transition temp

flash point 16 °C

solubility

13 g/L

density

0.91 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

[n]1(cccc1)C

InChI

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

InChI key

OXHNLMTVIGZXSG-UHFFFAOYSA-N

Application

  • Systematic Assessment of the Catalytic Reactivity of Frustrated Lewis Pairs in CH Bond Activation: The article explores the FLP-catalyzed CH bond activation of 1-methylpyrrole, evaluating its catalytic performance (Y Guo, et al., 2023).
  • Design of a Mesoionic Janus-type Dicarbene: Research on 1-methylpyrrole with 4-bromoacetophenone for potential applications in synthetic chemistry (JN Leung, HV Huynh, 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)

Density (d 20 °C/ 4 °C): 0.905 - 0.914

Identity (IR): passes test


pictograms

FlameExclamation mark

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

flash_point_c

16 °C



Certificates of Analysis (COA)

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