5-Methyl-2-(1H-pyrrol-1-yl)aniline

Basic Information

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CAS Number

59194-21-7

Molecular Formula

C11H12N2

Molecular Weight

172.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

88-90°

SMILES

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NC1=CC(C)=CC=C1N2C=CC=C2

InChI

InChI=1S/C11H12N2/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,12H2,1H3

InChIKey

NEENRPZEBOLMTI-UHFFFAOYSA-N

LogP

2.3679200000000007

Topological Polar Surface Area

30.95 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Methyl-2-(1H-pyrrol-1-yl)aniline
5-methyl-2-(1H-pyrrol-1-yl)aniline(SALTDATA: FREE)
5-methyl-2-(1H-pyrrol-1-yl)Benzenamine
5-methyl-2-pyrrol-1-ylaniline
1-(2-Amino-4-methylphenyl)-pyrrol
1-(2-amino-4-methylphenyl)pyrrole
5-methyl-2-pyrrolylphenylamine
N-(2-amino-4-methylphenyl)pyrrole

MDL Number

MFCD00047064

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Methyl-2-(1H-pyrrol-1-yl)aniline (CAS: 59194-21-7)?

5-Methyl-2-(1H-pyrrol-1-yl)aniline is a solid with a crystalline form. Its molecular weight is approximately 229.26 g/mol. The compound is moderately soluble in water and ethanol. It is reactive toward oxidizing agents. It has a pKa of about 7.2 and exhibits basic properties. This compound is commonly used in organic synthesis and chemical reagents.

How is 5-Methyl-2-(1H-pyrrol-1-yl)aniline (CAS: 59194-21-7) typically synthesized?

5-Methyl-2-(1H-pyrrol-1-yl)aniline can be synthesized via a multistep process involving the condensation of 2-chloro-5-methylaniline with pyrrole. Commonly, this reaction is catalyzed by a strong base such as sodium hydride. The yield is around 70-80%, and the purity can be enhanced by recrystallization.

What industries use 5-Methyl-2-(1H-pyrrol-1-yl)aniline (CAS: 59194-21-7)?

5-Methyl-2-(1H-pyrrol-1-yl)aniline is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of dyes, sensors, and semiconductors. Its use in polymers is less common but still significant for specific applications.

What precautions should be taken when handling 5-Methyl-2-(1H-pyrrol-1-yl)aniline (CAS: 59194-21-7)?

When handling 5-Methyl-2-(1H-pyrrol-1-yl)aniline, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Fume hoods should be used during operations. Spills should be cleaned up with care, using absorbent materials, and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.