4-(4-Methyl-1-piperazinyl)benzonitrile

Basic Information

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CAS Number

34334-28-6

Molecular Formula

C12H15N3

Molecular Weight

201.27 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

Physical State

White to Yellow Solid

Melting Point

104-105 ºC

Boiling Point

356.5°C at 760 mmHg

SMILES

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CN1CCN(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3

InChIKey

ZSDPKKGOSKXEHN-UHFFFAOYSA-N

LogP

1.31298

Complexity

239

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SY106679
DS-2627
SR-01000317604
ZSDPKKGOSKXEHN-UHFFFAOYSA-N
4-(4-methylpiperazin-1-yl)benzonitrile
FS-2094
AC-23222
Benzonitrile, 4-(4-methyl-1-piperazinyl)-
FT-0687660
34334-28-6
SR-01000317604-1
4-(4-Methylpiperazino)benzonitrile
4-(4-methyl-1-piperazinyl)benzonitrile
EN300-230957
AB01328514-02
CS-B1832
DTXSID30354088
CL1610
SCHEMBL151261
RXJ
NCGC00335756-01
AKOS000218459
MFCD03546779
4-(4-methyl-piperazin-1-yl)benzonitrile
4-(4-Methylpiperazin-1-yl)benzonitrile
4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE
4-(4-METHYLPIPERAZINO)BENZONITRILE
Benzonitrile,4-(4-methyl-1-piperazinyl)-
1-(4-methylpiperazino)benzonitrile
4-(4-Methyl-1-piperazinyl)benzonitrile
4-(4-Methyl-piperazin-1-yl)-benzonitrile

MDL Number

MFCD03546779

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-(4-Methyl-1-piperazinyl)benzonitrile (CAS: 34334-28-6)?

4-(4-Methyl-1-piperazinyl)benzonitrile is a white crystalline solid with a molecular weight of approximately 228.24 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can react with strong bases. It has a melting point of about 125-127°C.

How is 4-(4-Methyl-1-piperazinyl)benzonitrile (CAS: 34334-28-6) typically synthesized?

4-(4-Methyl-1-piperazinyl)benzonitrile is typically synthesized via a multistep process starting with 4-methylpiperazine and benzonitrile. The key steps involve the reaction of 4-methylpiperazine with benzonitrile in the presence of a suitable catalyst to achieve high yield and selectivity. Common solvents include acetonitrile, and the reaction is carried out under mild conditions.

What industries use 4-(4-Methyl-1-piperazinyl)benzonitrile (CAS: 34334-28-6)?

4-(4-Methyl-1-piperazinyl)benzonitrile is used in various industries, including pharmaceuticals for drug synthesis, polymers for developing functional materials, and sensors for detecting specific compounds. It also has applications in the production of organic semiconductors and as a intermediate in chemical synthesis.

What precautions should be taken when handling 4-(4-Methyl-1-piperazinyl)benzonitrile (CAS: 34334-28-6)?

When handling 4-(4-Methyl-1-piperazinyl)benzonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Use a fume hood during operations to minimize exposure. Dispose of any spills according to the Safety Data Sheet (SDS) guidelines and ensure proper ventilation in the work environment. Always consult the SDS for detailed safety information.