59843-58-2

Basic information

• Product Name: 3-(4-CHLOROPHENYL)PYRAZOLE
• Synonyms: 3-(4-CHLOROPHENYL)-1H-PYRAZOLE;3-(4-CHLOROPHENYL)PYRAZOLE;BUTTPARK 15\04-56;TIMTEC-BB SBB003760;3-(4-Chlorophenyl)pyrazole, 99+%;4-(1H-Pyrazol-3-yl)chlorobenzene;1-Chloro-4-(1H-pyrazol-3-yl)benzene;3-(4-chlorophenyl)-2H-pyrazole
• CAS NO: 59843-58-2
• Molecular Formula: C₉H₇ClN₂
• Molecular Weight: 178.62
• Product Categories: Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrazoles;PyrazolesHeterocyclic Building Blocks
• Mol File: 59843-58-2.mol
• Article Data: 21

Chemical Properties

• Melting Point: 80 °C
• Boiling Point: 154 °C
• Flash Point: 206.9 °C
• Appearance: light yellow to beige-brown crystalline powder
• Density: 1.2454 (rough estimate)
• Vapor Pressure: 3.09E-05mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Storage Temp.: 2-8°C
• PKA: 12.80±0.10(Predicted)
• CAS DataBase Reference: 3-(4-CHLOROPHENYL)PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-CHLOROPHENYL)PYRAZOLE(59843-58-2)
• EPA Substance Registry System: 3-(4-CHLOROPHENYL)PYRAZOLE(59843-58-2)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 59843-58-2(Hazardous Substances Data)

Usage

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

Upstream product

• 98606-78-1 2-bromo-1-(4-chlorophenyl)-3,3-bis(methylthio)prop-2-en-1-one 
• 1072-63-5 1-vinylimidazole 
• 104-88-1 4-chlorobenzaldehyde 
• 62045-65-2 2-(4-chlorophenyl)-2-(3,3-dimethylallyl)-4-phenyl-5(2H)-oxazolone 
• 873-73-4 4-n-chlorophenylacetylene 
• 37614-57-6 3-(4-chlorophenyl)prop-2-yn-1-ol 
• 19350-69-7 4-chlorobenzaldehyde p-toluenesulfonylhydrazone 
• 75-20-7 calcium carbide 
• 109-92-2 ethyl vinyl ether 
• 136513-81-0 (E)-3-Amino-1-(4-chloro-phenyl)-propenone 
• 4640-66-8 p-chlorobenzoylacetonitrile 
• 637-87-6 1-Chloro-4-iodobenzene 
• 15190-08-6 α-(N,N-dimethylamino)-α-(p-chlorophenyl)acetonitrile 
• 99-91-2 para-chloroacetophenone 

Downstream Products

• 1335210-58-6 6-chloro-3,4-diphenylpyrazolo[5,1-a]isoquinoline 
• 1173291-34-3 1-(2-bromo-6-methoxy-7-methyl-7H-indeno[2,1-c]quinolin-7-yloxy)-3-[3-(4-chloro-phenyl)-pyrazol-1-yl]-propan-2-ol 
• 156467-08-2 {(η6-p-cymene)RuCl2(3-(4'-chlorophenyl)pyrazole)} 
• 59843-59-3 2-[3-(4-chloro-phenyl)-pyrazol-1-yl]-N,N-dimethyl-propionamide 
• 59843-60-6 2-[5-(4-chloro-phenyl)-pyrazol-1-yl]-N,N-dimethyl-propionamide 
• 17978-27-7 3-p-chlorophenyl-4-bromo-1H-pyrazole 
• 18099-21-3 4-chloro-3-(4-chlorophenyl)-1H-pyrazole 
• 928299-83-6 3,4-dibromo-5-p-chlorophenyl-1H-pyrazole 
• 1383377-60-3 4-bromo-3-(4-chlorophenyl)-1-methyl-1H-pyrazole 

Relevant articles and documents

Molybdenum-silver co-catalyzed cycloaddition of alkynes with: N -isocyanoiminotriphenylphosphorane (NIITP): An efficient strategy for the synthesis of monosubstituted pyrazoles

A new molybdenum-silver co-catalyzed [3+2] cycloaddition of alkynes with N-isocyanoiminotriphenylphosphorane (NIITP) has been described. The NIITP serves as a non-toxic, facile "CNN" source. Over 30 substrates were successfully converted to the desired compounds in good to excellent yields.

Preparing method for monosubstituted pyrazole compound

The invention belongs to the field of chemical synthesis, and particularly relates to a preparing method for a monosubstituted pyrazole compound. The preparing method includes the following steps thatunder catalysis of a molybdenum compound, an alkyne compound and N-isocyano triphenyl phosphinimine react in an organic solvent, and the monosubstituted pyrazole compound is obtained. The alkyne compound is of a structure in a formula (I), and the monosubstituted pyrazole compound is of a structure in a formula (II), wherein R is alkyl or substitution alkyl or aryl or substitution aryl or heteroaryl or substitution heteroaryl. According to the method, the alkyne compound and the N-isocyano triphenyl phosphinimine serve as reaction substrates, the molybdenum compound serves as a catalyst, anda series of monosubstituted pyrazole compounds can be synthesized by adjusting the specific type of the alkyne compound. The method is easy to operate, the raw materials and reagents are easy to obtain, and the method is mild in condition, environmentally friendly and particularly suitable for large-scale industrial production.

Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles

With N-tosylhydrazone as an ambiphilic reagent, an unprecedented cyclization reaction of two identical or different tosylhydrazones has been developed to access various 4,5-disubstituted-2H-triazoles under transition metal, azide, and oxidant-free conditi