CAS 25699-82-5

3-(1H-Pyrazol-1-yl)benzonitrile

Description:

3-(1H-Pyrazol-1-yl)benzonitrile is an organic compound characterized by its pyrazole and benzonitrile functional groups. It features a pyrazole ring, which is a five-membered heterocyclic compound containing two nitrogen atoms, attached to a benzene ring that is further substituted with a nitrile group (-C≡N). This compound typically exhibits properties such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitrile group, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. The pyrazole moiety contributes to its biological activity, making it of interest in medicinal chemistry for potential pharmaceutical applications. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, aiding in its identification and characterization. Overall, 3-(1H-Pyrazol-1-yl)benzonitrile is a versatile compound with applications in research and development within the fields of organic synthesis and drug discovery.

Formula: C₁₀H₇N₃

InChI: InChI=1S/C10H7N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H

InChI key: InChIKey=KLZKYUMVLIQOFX-UHFFFAOYSA-N

SMILES: C(#N)C=1C=C(C=CC1)N2C=CC=N2

Synonyms:

• Benzonitrile, 3-(1H-pyrazol-1-yl)-
• 3-(1H-Pyrazol-1-yl)benzonitrile
• Benzonitrile, m-pyrazol-1-yl-
• 3-Pyrazol-1-ylbenzonitrile

3-(1H-Pyrazol-1-yl)benzonitrile

CAS: 25699-82-5

Formula: C₁₀H₇N₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 169.1827

Ref: IN-DA00BDEC

3-(1H-Pyrazol-1-yl)benzonitrile

CAS: 25699-82-5

3-(1H-Pyrazol-1-yl)benzonitrile

Purity: 95%

Molecular weight: 169.18g/mol

Ref: 54-OR962682

3-(1H-Pyrazol-1-yl)benzonitrile

CAS: 25699-82-5

Formula: C₁₀H₇N₃

Purity: 98%

Molecular weight: 169.187

Ref: 10-F462420

3-(1H-Pyrazol-1-yl)benzonitrile

CAS: 25699-82-5

3-(1H-Pyrazol-1-yl)benzonitrile is a perchlorate with a centrosymmetric dimeric crystal structure. It can be prepared by assembling two molecules of 3-aminobenzonitrile and 1,2,4-triazole in the presence of an oxidant. This compound has been used as a ligand in coordination chemistry and has been shown to be an efficient catalyst for imidazole synthesis. The molecule also exhibits anti-aromatization properties when irradiated. 3-(1H-Pyrazol-1-yl)benzonitrile can be used as an environment friendly alternative to benzotriazoles, which are typically synthesized using toxic chemicals such as chlorine gas or hydrogen peroxide.

Formula: C₁₀H₇N₃

Purity: Min. 95%

Molecular weight: 169.18 g/mol

Ref: 3D-ABA69982