6831-92-1

Basic information

• Product Name: 4-CHLORO-1-PHENYL-1H-PYRAZOLE
• Synonyms: 4-CHLORO-1-PHENYL-1H-PYRAZOLE;4-Chloro-1-phenylpyrazole;1-Phenyl-4-chloropyrazole
• CAS NO: 6831-92-1
• Molecular Formula: C₉H₇ClN₂
• Molecular Weight: 178.62
• Mol File: 6831-92-1.mol
• Article Data: 13

Chemical Properties

• Melting Point: 74-76 °C
• Boiling Point: 274.4 °C at 760 mmHg
• Flash Point: 119.7 °C
• Appearance: /
• Density: 1.23 g/cm³
• Vapor Pressure: 0.00909mmHg at 25°C
• Refractive Index: 1.613
• PKA: -1.34±0.10(Predicted)
• CAS DataBase Reference: 4-CHLORO-1-PHENYL-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-1-PHENYL-1H-PYRAZOLE(6831-92-1)
• EPA Substance Registry System: 4-CHLORO-1-PHENYL-1H-PYRAZOLE(6831-92-1)

Safety Data

• Hazardous Substances Data: 6831-92-1(Hazardous Substances Data)

Usage

General Description

4-Chloro-1-phenyl-1H-pyrazole is a chemical compound with the molecular formula C9H7ClN2. It is a pyrazole derivative with a chlorine atom attached to the 4-position and a phenyl group attached to the 1-position of the pyrazole ring. 4-CHLORO-1-PHENYL-1H-PYRAZOLE is used in research and chemical synthesis, and it has potential applications in pharmaceuticals and agrochemicals. Its structure and properties make it a valuable building block in the development of new compounds and materials for various industrial and scientific purposes. However, it is important to handle this chemical with proper care and safety precautions due to its potential hazards.

InChI:InChI=1/C9H7ClN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H

Upstream product

• 15878-00-9 4-chloro-1H-pyrazole 
• 71-43-2 benzene 
• 1126-00-7 1-phenylpyrazole 
• 100-63-0 phenylhydrazine 
• 1076-60-4 1-phenyl-4-hydroxypyrazole 
• 10025-87-3 trichlorophosphate 
• 7791-25-5 sulfuryl dichloride 
• 60-29-7 diethyl ether 
• 50704-42-2 2-chloromalonaldehyde 
• 77770-25-3 α-chloro-β-anilinoacrylaldehyde anil 
• 131139-84-9 3-anilino-2-chloro-acrylaldehyde 
• 64-19-7 acetic acid 
• 36437-19-1 2-chloromalonaldehyde 
• 59-88-1 phenylhydrazine hydrochloride 

Relevant articles and documents

Unveiling Potent Photooxidation Behavior of Catalytic Photoreductants

We describe a photocatalytic system that reveals latent photooxidant behavior from one of the most reducing conventional photoredox catalysts, N-phenylphenothiazine (PTH). This aerobic photochemical reaction engages difficult to oxidize feedstocks, such as benzene, in C(sp2)-N coupling reactions through direct oxidation. Mechanistic studies are consistent with activation of PTH via photooxidation and with Lewis acid cocatalysts scavenging inhibitors inextricably formed in this process.

Oxidative Photochlorination of Electron-Rich Arenes via in situ Bromination

Electron-rich arenes are oxidatively photochlorinated in the presence of catalytic amounts of bromide ions, visible light, and 4CzIPN as organic photoredox catalyst. The substrates are brominated in situ in a first photoredox-catalyzed oxidation step, followed by a photocatalyzed ipso-chlorination, yielding the target compounds in high ortho/para regioselectivity. Dioxygen serves as a green and convenient terminal oxidant. The use of aqueous hydrochloric acid as the chloride source reduces the amount of saline by-products.

Efficient Electrocatalysis for the Preparation of (Hetero)aryl Chlorides and Vinyl Chloride with 1,2-Dichloroethane

Although the application of 1,2-dichloroethane (DCE) as a chlorinating reagent in organic synthesis with the concomitant release of vinyl chloride as a useful byproduct is a fantastic idea, it still presents a tremendous challenge and has not yet been achieved because of the harsh dehydrochlorination conditions and the sluggish C?H chlorination process. Here we report a bifunctional electrocatalysis strategy for the catalytic dehydrochlorination of DCE at the cathode simultaneously with anodic oxidative aromatic chlorination using the released HCl as the chloride source for the efficient synthesis of value-added (hetero)aryl chlorides. The mildness and practicality of the protocol was further demonstrated by the efficient late-stage chlorination of bioactive molecules.