51412-23-8

Basic information

• Product Name: (1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE
• Synonyms: 1H-Pyrazole-4-acetonitrile, 1-phenyl-;2-(1-phenyl-1h-pyrazol-4-yl)acetonitrile
• CAS NO: 51412-23-8
• Molecular Formula: C₁₁H₉N₃
• Molecular Weight: 183.21
• Mol File: 51412-23-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 348.5°C at 760 mmHg
• Flash Point: 164.6°C
• Appearance: /
• Density: 1.11g/cm³
• Vapor Pressure: 5E-05mmHg at 25°C
• Refractive Index: 1.608
• PKA: -0.88±0.10(Predicted)
• CAS DataBase Reference: (1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: (1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE(51412-23-8)
• EPA Substance Registry System: (1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE(51412-23-8)

Safety Data

• Hazardous Substances Data: 51412-23-8(Hazardous Substances Data)

Usage

Description

(1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE is a chemical compound with the molecular formula C11H8N4. It is a pyrazole derivative with a phenyl group attached to the pyrazole ring. (1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE is known for its versatile functional group, the acetonitrile group, which allows for further derivatization and makes it valuable in various fields.
Used in Pharmaceutical Research:
(1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE is used as a building block for the synthesis of various bioactive molecules. Its unique structure and functional groups make it a promising candidate for the development of new drugs.
Used in Organic Synthesis:
(1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE is used as a reagent in chemical reactions to introduce the pyrazole moiety into different organic compounds. This allows for the creation of a wide range of molecules with potential applications in various industries.
Used in Materials Science:
(1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE has potential applications in materials science due to its unique properties and the ability to be further modified through derivatization.
Used in Agrochemicals Development:
(1-PHENYL-1H-PYRAZOL-4-YL)ACETONITRILE is also valuable in the development of new agrochemicals, as its structure and functional groups can be utilized to create compounds with specific pesticidal or herbicidal properties.

InChI:InChI=1/C11H9N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6H2

Upstream product

• 151-50-8 potassium cyanide 
• 153863-63-9 4-Bromomethyl-1-phenyl-1H-pyrazole 
• 70817-26-4 (1-phenyl-1H-pyrazol-4-yl)methanol 
• 885-94-9 ethyl 1-phenylpyrazole-4-carboxylate 
• 100-63-0 phenylhydrazine 

Downstream Products

• 35715-77-6 (1-phenyl-1H-pyrazol-4-yl)-acetic acid 

Relevant articles and documents

Synthesis of 5-substituted 1-aryl-1H-pyrazole-4-acetonitriles, 4-methyl- 1-phenyl-1H-pyrazole-3-carbonitriles and pharmacologically active 1-aryl-1H- pyrazole-4-acetic acids

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