1-Methyl-1H-pyrrole-2-carbonitrile

Basic Information

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CAS Number

34884-10-1

Molecular Formula

C6H6N2

Molecular Weight

95.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

87°C/10mmHg

Density

0.99

Flash Point

78.1 °C

Refractive Index

1.5230 to 1.5270

SMILES

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CN1C=CC=C1C#N

InChI

InChI=1S/C6H6N2/c1-8-4-2-3-6(8)5-7/h2-4H,1H3

InChIKey

JRQSGIQEBOZPHK-UHFFFAOYSA-N

LogP

1.33352

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

122

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-methyl-pyrrole-2-carbonitrile
M2784
EN300-12885
Z56766658
1-methyl-1H-pyrrole-2-carbonitrile
2-cyano-N-methylpyrrole
AB12660
2-Cyano-1-methylpyrrole
MFCD02693721
AM803752
SCHEMBL61342
SY083451
1-Methylpyrrole-2-carbonitrile
34884-10-1
CS-0040759
FT-0684033
1-methyl-2-cyanopyrrole
2-cyano-N-methyl pyrrole
HMS1768J18
A822455
AKOS004911085
DTXSID20366418
F8881-0742
AS-8178
BB 0261931
W10652
1-methyl-2-pyrrolecarbonitrile
1-Methyl-1H-pyrrole-2-carbonitrile
N-methyl-2-pyrrolecarbonitrile
2-(1-Methyl-1H-pyrrol-2-yl)acetonitrile
1-methyl-1H-pyrrole-2-carbonitrile(SALTDATA: FREE)

MDL Number

MFCD02693721

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-Methyl-1H-pyrrole-2-carbonitrile (CAS: 34884-10-1)?

1-Methyl-1H-pyrrole-2-carbonitrile is a colorless liquid with a molecular weight of approximately 118.12 g/mol. It has a high boiling point of around 180°C and a low melting point of -12°C. The compound is moderately soluble in water but highly soluble in organic solvents like dimethylformamide. It is known for its moderate reactivity, particularly towards nucleophilic and electrophilic reactions.

How is 1-Methyl-1H-pyrrole-2-carbonitrile (CAS: 34884-10-1) typically synthesized?

1-Methyl-1H-pyrrole-2-carbonitrile can be synthesized through the reaction of methyl acrylate with hydrogen cyanide in the presence of a base such as sodium hydroxide. The reaction is typically carried out in a solvent like dimethylformamide, and yields are generally good with high selectivity for the desired product.

What industries use 1-Methyl-1H-pyrrole-2-carbonitrile (CAS: 34884-10-1)?

1-Methyl-1H-pyrrole-2-carbonitrile finds applications in various industries, including pharmaceuticals, where it is used as a precursor in the synthesis of certain drug molecules. It is also utilized in the polymer industry for modifying polymer properties, and in the semiconductor industry as a precursor in the fabrication of organic semiconductors. Additionally, it is used in the development of gas sensors due to its reactivity.

What precautions should be taken when handling 1-Methyl-1H-pyrrole-2-carbonitrile (CAS: 34884-10-1)?

When handling 1-Methyl-1H-pyrrole-2-carbonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.