53580-21-5

Basic information

• Product Name: 4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE
• Synonyms: 1-PHENYL-2H,2H-PERFLUOROHEXANE-1,3-DIONE;4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE
• CAS NO: 53580-21-5
• Molecular Formula: C₁₂H₇F₇O₂
• Molecular Weight: 316.17
• Mol File: 53580-21-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 70°C 0,1mm
• Flash Point: 98.3°C
• Appearance: /
• Density: 1.421g/cm³
• Vapor Pressure: 0.0142mmHg at 25°C
• Refractive Index: 1.416
• CAS DataBase Reference: 4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE(53580-21-5)
• EPA Substance Registry System: 4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE(53580-21-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 53580-21-5(Hazardous Substances Data)

Usage

General Description

4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE is a chemical compound with the molecular formula C13H4F7O2. It is a fluorinated aromatic ketone that is used primarily in the production of perfluorinated compounds, which have applications as surface coatings, refrigerants, and fire extinguishing agents. 4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE is a highly reactive and versatile building block for the synthesis of complex molecules with potential applications in pharmaceuticals, agrochemicals, and materials science. 4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1,3-HEXANEDIONE is considered to be of low environmental concern due to its high volatility and low bioaccumulation potential. However, it is important to handle and use this compound with caution due to its potential health hazards, including respiratory and skin irritation, if not handled properly.

InChI:InChI=1/C12H7F7O2/c13-10(14,11(15,16)12(17,18)19)9(21)6-8(20)7-4-2-1-3-5-7/h1-5H,6H2

Upstream product

• 356-27-4 ethyl heptafluorobutyrate 
• 98-86-2 acetophenone 
• 356-24-1 methyl heptafluorobutyrate 

Downstream Products

• 375-22-4 heptafluorobutyric Acid 
• 3282-32-4 2-diazo-acetophenone 
• 89965-72-0 4,4,5,5,6,6,6-Heptafluoro-1-phenyl-hex-2-yn-1-one 
• 67036-08-2 4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexa-1-yn-3-one 
• 791-28-6 Triphenylphosphine oxide 
• 54864-78-7 3-perfluoropropyl-5-phenyl-1H-pyrazole 
• 75823-95-9 3-(5-Heptafluoropropyl-3-phenyl-pyrazol-1-yl)-propionitrile 
• 75823-94-8 3-(3-Heptafluoropropyl-5-phenyl-pyrazol-1-yl)-propionitrile 
• 1127371-80-5 2,2'-(biphenyl-4,4'-diyldihydrazono)bis(4,4,5,5,6,6,6-heptafluoro-1-phenylhexane-1,3-dione) 
• 1442648-52-3 2-(β-D-ribofuranosyl)-4-(heptafluoropropyl)-6-phenylpyrimidine 
• 1191241-63-0 ethyl 3-benzoyl-4-heptafluoropropyl-4-hydroxy-1,4-dihydroimidazo[5,1-c][1,2,4]triazine-8-carboxylate 
• 255738-32-0 Rh(C₁₂H₆O₂F₇)3 

Relevant articles and documents

Regioselective synthesis of 4-alkyl- and 4-aryl-6-(perfluoroalkyl)salicylic acid derivatives by formal [3+3] cyclocondensation of 1,3-bis(silyloxy)-1,3-butadienes with 3-silyloxy-1-(perfluoroalkyl)prop-2-en-1-ones

4-Alkyl- and 4-aryl-6-(perfluoroalkyl)salicylic acid derivatives were regioselectively prepared by [3+3] cyclization of 1,3-bis(silyl enol ethers) with 3-silyloxy-1-(perfluoroalkyl)prop-2-en-1-ones.

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Compounds, compositions and methods for modulating the activity of nuclear receptors are provided. In particular, heterocyclic compounds are provided for modulating the activity of nuclear receptors, including liver X receptor (LXR) and orphan nuclear receptors. In certain embodiments, the compounds are N-substituted pyridones.