4027-54-7

Basic information

• Product Name: 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE
• Synonyms: 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE;AKOS BBS-00002816;AKOS PAO-1213;3-(TRIFLUOROMETHYL)-5-PHENYL-1H-PYRAZOLE;3-TRIFLUOROMETHYL-5-(PHENYL)PYRAZOLE;Trifluoromethylphenylpyrazole;3-Phenyl-5-(trifluoromethyl)-1H-pyrazole;5-Phenyl-3-(trifluoromethyl)-1H-pyrazole
• CAS NO: 4027-54-7
• Molecular Formula: C₁₀H₇F₃N₂
• Molecular Weight: 212.17
• Mol File: 4027-54-7.mol
• Article Data: 43

Chemical Properties

• Melting Point: 121°C
• Boiling Point: 335.1 °C at 760 mmHg
• Flash Point: 156.4 °C
• Appearance: /
• Density: 1.327 g/cm³
• Vapor Pressure: 0.000238mmHg at 25°C
• Refractive Index: 1.517
• Solubility: soluble in Methanol
• PKA: 10.08±0.10(Predicted)
• CAS DataBase Reference: 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE(4027-54-7)
• EPA Substance Registry System: 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE(4027-54-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 4027-54-7(Hazardous Substances Data)

Usage

General Description

5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE is a chemical compound with the molecular formula C10H7F3N2. It is a pyrazole derivative with a phenyl group and a trifluoromethyl group attached to the pyrazole ring. 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE is often used as a building block in the synthesis of various pharmaceuticals and agrochemicals. It is also known for its potential as a bioactive molecule with various biological activities, including antioxidant, anti-inflammatory, and anti-cancer properties. 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE is commonly used in research and development laboratories as a reagent for chemical reactions and studies due to its unique structure and diverse range of applications.

InChI:InChI=1/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)

Upstream product

• 326-06-7 1-Phenyl-4,4,4-trifluorobutane-1,3-dione 
• 172032-06-3 1,1,1,2,2-pentafluoro-4-iodo-4-phenyl-3-butene 
• 98-86-2 acetophenone 
• 6294-89-9 hydrazinecarboxylic acid methyl ester 
• 536-74-3 phenylacetylene 
• 219986-58-0 5-hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamide 
• 373-88-6 2,2,2-trifluroethylamine hydrochloride 
• 720-94-5 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione 
• 2236129-81-8 trifluoroacetaldehyde N-triftosylhydrazone 
• 4891-38-7 phenylpropynoic acid methyl ester 
• 1514-82-5 2-bromo-3,3,3-trifluoropropene 
• 1666-17-7 benzaldehyde p-toluenesulfonylhydrazone 
• 100-52-7 benzaldehyde 
• 371-67-5 2,2,2-trifluorodiazoethane 

Downstream Products

• 854763-48-7 [tris(3-trifluoromethyl-5-phenylpyrazolate)tricopper(I)] 
• 230295-07-5 4-bromo-5-(trifluoromethyl)-3-phenyl-1H-pyrazole 
• 1570067-39-8 C₂₅H₁₉N₃O₃ 
• 1570067-40-1 C₂₀H₁₄F₃N₃O₃ 
• 1570067-31-0 C₁₉H₁₃F₃N₂ 

Relevant articles and documents

Determination of hydrazine in pharmaceuticals. IV: Hydrazine and benzylhydrazine in isocarboxazid

A GC procedure for the simultaneous determination of hydrazine and benzylhydrazine in isocarboxazid raw material and tablet formulations has been developed. The method is based on the reaction of benzoyltrifluoroacetone with hydrazine and benzylhydrazine

Hydroxy- and alkoxymethylation of polyfluoroalkyl pyrazoles

A synthetic route to 1-hydroxy- and 1-alkoxymethyl-3-polyfluoroalkylpyrazoles via regioselective N-hydroxy- and alkoxymethylation of N-unsubstituted pyrazoles with paraformaldehyde has been proposed. The alkoxyalkylation of polyfluoroalkylpyrazoles procee

Stereoselective Direct N-Trifluoropropenylation of Heterocycles with a Hypervalent Iodonium Reagent

The availability and synthesis of fluorinated enamine derivatives such as N-(3,3,3-trifluoropropenyl)heterocycles are challenging, especially through direct functionalization of the heterocyclic scaffold. Herein, a stereoselective N-trifluoropropenylation method based on the use of a bench-stable trifluoropropenyl iodonium salt is described. This reagent enables the straightforward trifluoropropenylation of various N-heterocycles under mild reaction conditions, providing trifluoromethyl enamine type moieties with high stereoselectivity and efficiency.

Cycloaddition of Trifluoroacetaldehyde N-Triftosylhydrazone (TFHZ-Tfs) with Alkynes for Synthesizing 3-Trifluoromethylpyrazoles

A transition-metal-free [3 + 2] cycloaddition between trifluoroacetaldehyde N-triftosylhydrazone (TFHZ-Tfs) and alkynes is reported. This protocol provides an operationally simple and general method for the synthesis of diverse 3-trifluoromethylpyrazoles in good to excellent yields with broad substrate scope, including aryl, heteroaryl, and alkyl terminal alkynes, and electron-deficient internal alkynes. The synthetic potential of this method was further demonstrated by the synthesis of an antiarthritic drug Celecoxib in multigram scale.