54454-10-3

Basic information

• Product Name: 5-CHLORO-1,3-DIMETHYLPYRAZOLE
• Synonyms: 1H-Pyrazole, 5-chloro-1,3-dimethyl-;5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE;5-CHLORO-1,3-DIMETHYLPYRAZOLE;BUTTPARK 82\11-55;5-Chloro-1,3-dimethylpyrazole,98%
• CAS NO: 54454-10-3
• Molecular Formula: C₅H₇ClN₂
• Molecular Weight: 130.58
• Product Categories: Halides;Pyrazoles & Triazoles;Pyrazoles & Triazoles;Heterocycles;Intermediates
• Mol File: 54454-10-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 60-62 °C (15 mmHg)
• Flash Point: 153-155°C
• Appearance: Clear light yellow/Liquid
• Density: 1,137 g/cm3
• Vapor Pressure: 3.55mmHg at 25°C
• Refractive Index: 1.485-1.487
• Solubility: Chlorform
• PKA: 1.48±0.10(Predicted)
• BRN: 113451
• CAS DataBase Reference: 5-CHLORO-1,3-DIMETHYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-1,3-DIMETHYLPYRAZOLE(54454-10-3)
• EPA Substance Registry System: 5-CHLORO-1,3-DIMETHYLPYRAZOLE(54454-10-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• Hazardous Substances Data: 54454-10-3(Hazardous Substances Data)

Usage

Chemical Properties

Colorless to light yellow liqui

Uses

5-Chloro-1,3-dimethylpyrazole can be used in the syntheis of a Zolazepam (Z613500) metabolite.

InChI:InChI=1/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 15953-45-4 5-chloro-3-methyl-1H-pyrazole 
• 5780-61-0 4,4-dichlorobut-3-en-2-one 
• 57-14-7 N,N-Dimethylhydrazine 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 
• 80-48-8 methyl p-toluene sulfonate 
• 15953-45-4 3-chloro-5-methyl-1H-pyrazole 

Downstream Products

• 27006-76-4 5-chloro-4-formyl-1,3-dimethylpyrazole 
• 66971-55-9 5-hydrazino-1,3-dimethyl-4-nitro-1H-pyrazole 
• 1394330-50-7 5-chloro-1,3-dimethyl-4-(4-nitrophenyl)-pyrazole 
• 1394330-49-4 ethyl 4-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzoate 
• 1394330-69-8 [4-(1,3-dimethyl-1H-pyrazol-4-yl)phenyl]methanol 
• 1394330-48-3 4-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzaldehyde 
• 1394330-45-0 4-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzonitrile 
• 1394330-40-5 1-[4-(5-chloro-1,3-dimethylpyrazol-4-yl)-phenyl]-ethanone 
• 1394330-57-4 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzonitrile 
• 1394330-56-3 5-chloro-1,3-dimethyl-4-(3-nitrophenyl)-pyrazole 
• 1394330-55-2 1-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)-phenyl]-ethanone 
• 1394330-54-1 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzaldehyde 
• 1394330-53-0 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzonitrile 
• 1394330-52-9 5-chloro-1,3-dimethyl-4-p-tolylpyrazole 

Relevant articles and documents

New synthesis and properties of 3-alkyl-, 3-chloroalkyl-, 3-perfluoroalkyl-, and 3-aryl-1-methyl-(5-halo)pyrazoles from chloro(bromo) vinyl ketones and N,N-dimethylhydrazine

A new regioselective heterocyclization was revealed in the reaction of 2-chloro- and 2,2-dichloro-(bromo)vinyl ketones with N,N-dimethylhydrazine to afford 3-substituted 1-methyl(5-halo)pyrazoles. The reaction is accompanied by elimination of methyl halide and formation of up to 90% of N,N,N-trimethylhydrazinium halide as the second product.