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

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Relevant articles and documents

Efficient halogenation synthesis method of aryl halide

The invention discloses an efficient halogenation synthesis method of aryl halide. The method comprises the following step: in the presence of a catalyst (sulfoxide or oxynitride), a halogenation reagent and a solvent, carrying out a halogenation reaction on an aromatic ring compound to obtain the aryl halide. According to the present invention, in the presence of a catalyst (sulfoxide or nitrogenoxide), a halogenation reagent and a solvent, the aromatic ring is subjected to an efficient halogenation reaction, such that the very useful aryl halide can be obtained with high activity and high selectivity; and by adopting the method disclosed by the invention, aryl halides can be efficiently synthesized, and the method has a wide application prospect in actual production.

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.

Visible-light photocatalytic activation of N-chlorosuccinimide by organic dyes for the chlorination of arenes and heteroarenes

A variety of arenes and heteroarenes are chlorinated in moderate to excellent yields using N-chlorosuccinimide (NCS) under visible-light activated conditions. A screening of known organic dye photocatalysts resulted in the identification of methylene green as the most efficient catalyst to use with NCS. According to mechanistic studies described within, the reaction is speculated to proceed via a single electron oxidation of NCS utilizing methylene green under visible-light photoredox pathway. The photo-oxidation of NCS amplifies the electrophilicity of the chlorine atom of the NCS, thus leading to enhanced reactivity as a chlorinating reagent with aromatic substrates.