54864-78-7

Basic information

• Product Name: 3-(HEPTAFLUORO-1-PROPYL)-5-PHENYLPYRAZOLE
• Synonyms: 3-(HEPTAFLUOROPROPYL)-5-PHENYLPYRAZOLE;3-(HEPTAFLUORO-N-PROPYL)-5-PHENYLPYRAZOLE;3-(HEPTAFLUORO-1-PROPYL)-5-PHENYLPYRAZOLE;3-(HEPTAFLUORO-N-PROPYL)-5-PHENYLPYRAZOLE 97%
• CAS NO: 54864-78-7
• Molecular Formula: C₁₂H₇F₇N₂
• Molecular Weight: 312.19
• Mol File: 54864-78-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 85 °C
• Boiling Point: 323.2°C at 760 mmHg
• Flash Point: 149.3°C
• Appearance: /
• Density: 1.454g/cm³
• Vapor Pressure: 0.000501mmHg at 25°C
• Refractive Index: 1.454
• CAS DataBase Reference: 3-(HEPTAFLUORO-1-PROPYL)-5-PHENYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(HEPTAFLUORO-1-PROPYL)-5-PHENYLPYRAZOLE(54864-78-7)
• EPA Substance Registry System: 3-(HEPTAFLUORO-1-PROPYL)-5-PHENYLPYRAZOLE(54864-78-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 54864-78-7(Hazardous Substances Data)

Usage

General Description

3-(heptafluoro-1-propyl)-5-phenylpyrazole is a chemical compound with a molecular formula of C13H6F7N3. It is a pyrazole derivative consisting of a heptafluoropropyl group and a phenyl group attached to a pyrazole ring. 3-(HEPTAFLUORO-1-PROPYL)-5-PHENYLPYRAZOLE is used in the production of insecticides and agrochemicals due to its pesticidal activity. It acts as an inhibitor of the enzyme acetylcholinesterase, which is involved in the transmission of nerve impulses in insects, leading to paralysis and death. Additionally, it has been studied for its potential as a pyrethroid synergist, enhancing the effectiveness of other insecticides. Overall, 3-(heptafluoro-1-propyl)-5-phenylpyrazole is a significant compound in the field of insecticide development and pesticide technology.

InChI:InChI=1/C12H7F7N2/c13-10(14,11(15,16)12(17,18)19)9-6-8(20-21-9)7-4-2-1-3-5-7/h1-6H,(H,20,21)

Upstream product

• 53580-21-5 4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexane-1,3-dione 
• 98-86-2 acetophenone 
• 423-39-2 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane 
• 618-34-8 1-chlorostyrene 
• 66249-23-8 3,3,4,4,5,5,6,6,6-Nonafluoro-1-phenyl-1-hexyne 

Downstream Products

• 75823-73-3 5-(heptafluoropropyl)-1-methyl-3-phenyl-1H-pyrazole 
• 54864-81-2 3-(heptafluoropropyl)-1-methyl-5-phenyl-1H-pyrazole 
• 82633-52-1 4-Bromo-3-heptafluoropropyl-5-phenyl-1H-pyrazole 
• 75823-94-8 3-(3-Heptafluoropropyl-5-phenyl-pyrazol-1-yl)-propionitrile 
• 83389-13-3 Diethyl-(3-heptafluoropropyl-5-phenyl-pyrazol-1-ylmethyl)-amine 

Relevant articles and documents

Oxygenative perfluoroalkylation of olefinic compounds using perfluoroalkyl iodide in the presence of oxygen

Reactions of perfluoroalkyl iodides with styrene and its derivatives were investigated under radical conditions in the presence of oxygen. The photochemical reaction of styrene with CF3(CF2)5I in the presence of tributyltin hydride or tris(trimethylsilyl)silane under an oxygen atmosphere afforded the corresponding perfluoroalkylated alcohols in moderate yields together with CF3(CF2)5H. However, the photochemical reactions of styrene and its derivatives with CF3(CF2)nI (n = 3, 5) in the presence of hexabutylditin under oxygen produced the perfluoroalkylated alcohols in good yields. Furthermore, the reactions of styrenes with CF3(CF2)nI (n = 3, 5, 9) and Na2S2O4 in the presence of a base under air formed the same alcohols in good yields. The alcohols were found to provide a novel type of α-fluoroalkylated styrenes by acidic dehydration. Perfluoroalkylated α,β-unsaturated ketones were synthesized by oxygenative perfluoroalkylations of α-chlorostyrene and its derivatives using CF3(CF2)nI (n = 3, 5) under radical reaction conditions. The ketones were found to be good synthetic building blocks for perfluoroalkylated heterocycles, such as pyrazoles, dihydrodiazepines, pyrimidines, and isoxazoles.

Synthesis of 3-perfluoroalkyl-, including 3-trifluoromethyl-, substituted pyrazoles from perfluoroalkylacetylenes

3-Perfluoroalkylpyrazoles 2 have been prepared in excellent yield by the reactions of perfluoroalkylacetylenes 1 with hydrazine monohydrate under mild conditions. - Keywords: Perfluoroalkylpyrazoles; Synthesis; Perfluoroalkylacetylenes; Hydrazene; Nucleop