175205-63-7

Basic information

• Product Name: 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• Synonyms: BUTTPARK 48\08-26;3-(CHLOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE;TIMTEC-BB SBB005579;3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole95+%;3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-;1,2,4-Oxadiazole, 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-
• CAS NO: 175205-63-7
• Molecular Formula: C₁₀H₆ClF₃N₂O
• Molecular Weight: 262.62
• Product Categories: Methyl Halides;Oxadiazoles & Thiadiazoles;Methyl Halides;Oxadiazoles & Thiadiazoles
• Mol File: 175205-63-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 25-27°C
• Boiling Point: 322.524 °C at 760 mmHg
• Flash Point: 148.858 °C
• Appearance: /
• Density: 1.418 g/cm³
• Vapor Pressure: 0.3mmHg at 25°C
• Refractive Index: 1.463
• Storage Temp.: 2-8°C
• PKA: -3.10±0.44(Predicted)
• CAS DataBase Reference: 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole(175205-63-7)
• EPA Substance Registry System: 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole(175205-63-7)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• Hazardous Substances Data: 175205-63-7(Hazardous Substances Data)

Usage

General Description

3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is a chemical compound with the molecular formula C9H6ClF3N2O. It is a heterocyclic compound containing an oxadiazole ring with a chloromethyl and a trifluoromethylphenyl group attached to it. 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has various potential applications in the fields of pharmaceuticals, agrochemicals, and materials science due to its diverse biological and chemical properties. It can be used as a building block for the synthesis of new drugs, agrochemicals, and materials with desired properties. Additionally, it exhibits potential biological activities such as antifungal, antibacterial, antiviral, and anticancer properties, making it a promising candidate for drug discovery and development.

InChI:InChI=1/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3

Upstream product

• 2251-65-2 3-(Trifluoromethyl)benzoyl chloride 
• 255876-61-0 C₁₀H₈ClF₃N₂O₂ 

Downstream Products

• 1195983-14-2 (R)-3-(1-thiophen-2-ylcycloheptanecarbonyloxy)-1-[5-(3-trifluoromethylphenyl)-[1,2,4]oxadiazol-3-ylmethyl]-1-azoniabicyclo[2.2.2]octane chloride 

Relevant articles and documents

Novel 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)-xanthine derivatives as high affinity and selective A2B adenosine receptor antagonists

A series of new 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)- xanthine derivatives as A2B-AdoR antagonists have been synthesized and evaluated for their binding affinities for the A2B, A 1, A2A, and A3-AdoRs. 8-(1-((3-phenyl-1,2,4- oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione (4) displayed high affinity (Ki = 1 nM) and selectivity for the A2B-AdoR versus A1, A2A, and A 3-AdoRs (A1/A2B, A2A/A2B, and A3/A2B selectivity ratios of 370, 1100, and 480, respectively). The synthesis and SAR of this novel class of compounds are presented herein.