111079-04-0

Basic information

• Product Name: 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE
• Synonyms: 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE
• CAS NO: 111079-04-0
• Molecular Formula: C₁₁H₉F₃N₂
• Molecular Weight: 226.2
• Mol File: 111079-04-0.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 261.6°Cat760mmHg
• Flash Point: 112°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 0.0186mmHg at 25°C
• Refractive Index: 1.519
• PKA: -2.17±0.10(Predicted)
• CAS DataBase Reference: 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE(111079-04-0)
• EPA Substance Registry System: 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE(111079-04-0)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 111079-04-0(Hazardous Substances Data)

Usage

General Description

3-Trifluoromethyl-5-methyl-1-(phenyl)pyrazole is a chemical compound with the molecular formula C11H9F3N2. It is a pyrazole derivative that contains a trifluoromethyl group, which is a highly electronegative and sterically demanding functional group. 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE has potential applications in pharmaceutical research and drug development, due to its interesting chemical properties and potential for biological activity. The presence of the phenyl group also adds to its potential as a building block for the synthesis of more complex organic molecules. Further research into the properties and potential uses of this compound may reveal its utility in various areas of chemistry and medicine.

InChI:InChI=1/C11H9F3N2/c1-8-7-10(11(12,13)14)15-16(8)9-5-3-2-4-6-9/h2-7H,1H3

Upstream product

• 100-63-0 phenylhydrazine 
• 81963-42-0 phenylhydrazone of trifluoroacetaldehyde 
• 135351-20-1 (3E)-1,1,1-trifluoro-4-methoxy-pent-3-en-2-one 
• 367-57-7 1,1,1-Trifluoro-2,4-pentanedione 
• 135351-20-1 1,1,1-trifluoro-4-methoxypent-3-en-2-one 
• 103-03-7 1-phenylsemicarbazide 

Downstream Products

• 362640-59-3 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 
• 362640-60-6 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride 
• 140647-24-1 1-Phenyl-3-trifluoromethyl-5-trimethylsilanylmethyl-1H-pyrazole 
• 140647-28-5 1-(o-trimethylsilylphenyl)-5-(trimethylsilylmethyl)pyrazole 

Relevant articles and documents

Synthesis of polysubstituted pyrazoles by a platinum-catalyzed sigmatropic rearrangement/cyclization cascade

A highly efficient Pt-catalyzed [3,3] sigmatropic rearrangement/cyclization cascade of N-propargylhydrazones is reported. The process provides expedient access to a variety of highly functionalized pyrazoles. The substrate has good substituted group compa

Small molecule library synthesis using segmented flow

Flow chemistry has gained considerable recognition as a simple, efficient, and safe technology for the synthesis of many types of organic and inorganic molecules ranging in scope from large complex natural products to silicon nanoparticles. In this paper

Regioselective synthesis of trifluoromethyl group substituted pyrazole derivatives from 1-aryl-3,4,4,4-tetrafluoro-2-buten-1-ones

Trifluoromethyl group substituted pyrazole derivatives were prepared from hydrazines and 1-aryl-3,4,4,4-tetrafluoro-2-buten-1-ones obtained by the deoxyfluorination of β-diketones. The reaction proceeded regioselectively and 5-aryl-3-trifluoromethyl-1-phe