117081-46-6

Basic information

• Product Name: Benzene, 1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-
• Synonyms: Benzene, 1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-;1-Methyl-4-(perfluoroethyl)benzene;1-Methyl-4-(pentafluoroethyl)benzene
• CAS NO: 117081-46-6
• Molecular Formula: C₉H₇F₅
• Molecular Weight: 210.15
• Mol File: 117081-46-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 144.5°C at 760 mmHg
• Flash Point: 43.6°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 6.4mmHg at 25°C
• Refractive Index: 1.406
• CAS DataBase Reference: Benzene, 1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-(117081-46-6)
• EPA Substance Registry System: Benzene, 1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-(117081-46-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 117081-46-6(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Synthetic Communications, 18, p. 965, 1988 DOI: 10.1080/00397918808060880

InChI:InChI=1/C9H7F5/c1-6-2-4-7(5-3-6)8(10,11)9(12,13)14/h2-5H,1H3

Upstream product

• 624-31-7 4-tolyl iodide 
• 378-76-7 Potassium pentafluoropropionate 
• 124898-13-1 trimethyl(pentafluoroethyl)silane 

Relevant articles and documents

8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS

Provided are compositions and methods useful for modulation of signaling through the Toll-like receptors TLR7 and/or TLR8. The compositions and methods have use in the treatment of autoimmunity, inflammation allergy, asthma, graft rejection, graft versus host disease, infection, sepsis, cancer and immunodeficiency.

A CONVENIENT SYNTHESIS OF PENTAFLUOROETHYL-SUBSTITUTED AROMATICS

The reaction of substituted aryl bromides and iodides with potassium pentafluoropropionate and copper (I) iodide in DMF/toluene at 150 deg C gives good yields of the corresponding aryl pentafluoroethyl compounds.