175136-60-4

Basic information

• Product Name: 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE
• Synonyms: 1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE;1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE;1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE;1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 97%;1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole97%;1-3,5-Bis(trifluoromethyl)phenylüpyrrole, 97%;1-3,5-Bis(Trifluoromethyl)Pheny;1-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole 97%
• CAS NO: 175136-60-4
• Molecular Formula: C12H7F6N
• Molecular Weight: 279.18
• Product Categories: Pyrrole&Pyrrolidine&Pyrroline
• Mol File: 175136-60-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 43 °C
• Boiling Point: 84 °C
• Flash Point: 98.3 °C
• Appearance: /
• Density: 1.34 g/cm³
• Vapor Pressure: 0.0637mmHg at 25°C
• Refractive Index: 1.46
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE(175136-60-4)
• EPA Substance Registry System: 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE(175136-60-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 175136-60-4(Hazardous Substances Data)

Usage

General Description

1-[3,5-bis(trifluoromethyl)phenyl]pyrrole is a chemical compound that belongs to the pyrrole class. It is a heterocyclic compound with a pyrrole ring containing a phenyl group substituted with two trifluoromethyl groups at the 3 and 5 positions. 1-[3,5-bis(trifluoromethyl)phenyl]pyrrole is commonly used as a building block in organic synthesis and pharmaceutical research. Its trifluoromethyl groups impart unique physicochemical properties, making it a valuable tool for drug discovery and material science. Additionally, the presence of fluorine atoms in the compound can enhance its bioavailability and metabolic stability, making it a promising candidate for the development of new pharmaceuticals.

InChI:InChI=1/C12H7F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h1-7H

Upstream product

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Relevant articles and documents

Electronically Strongly Coupled Divinylheterocyclic-Bridged Diruthenium Complexes

Complexes [{Ru(CO)Cl(PiPr3)2}2(μ-2,5-(CH=CH)2-cC4H2E] (E=NR; R=C6H4-4-NMe2 (10a), C6H4-4-OMe (10b), C6H4-4-Me (10c), C6H5 (10d), C6H4-4-CO2Et (10e), C6H4-4-NO2 (10f), C6H3-3,5-(CF3)2 (10g), CH3 (11); E=O (12), S (13)) are discussed. The solid state structures of four alkynes and two complexes are reported. (Spectro)electrochemical studies show a moderate influence of the nature of the heteroatom and the electron-donating or -withdrawing substituents R in 10a-g on the electrochemical and spectroscopic properties. The CVs display two consecutive one-electron redox events with ΔE°′=350-495 mV. A linear relationship between ΔE°′ and the σp Hammett constant for 10a-f was found. IR, UV/Vis/NIR and EPR studies for 10+-13+ confirm full charge delocalization over the {Ru}CH=CH-heterocycle-CH=CH{Ru} backbone, classifying them as Class III systems according to the Robin and Day classification. DFT-optimized structures of the neutral complexes agree well with the experimental ones and provide insight into the structural consequences of stepwise oxidations.