13222-45-2

Basic information

• Product Name: 2,3-Pentadiene, 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)-
• Synonyms: 2,3-Pentadiene, 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)-
• CAS NO: 13222-45-2
• Molecular Formula: C₇F₁₂
• Molecular Weight: 312.06
• Mol File: 13222-45-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 181.3°Cat760mmHg
• Flash Point: 53.1°C
• Appearance: /
• Density: 1.548g/cm³
• Vapor Pressure: 1.16mmHg at 25°C
• Refractive Index: 1.285
• CAS DataBase Reference: 2,3-Pentadiene, 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Pentadiene, 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)-(13222-45-2)
• EPA Substance Registry System: 2,3-Pentadiene, 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)-(13222-45-2)

Safety Data

• Hazardous Substances Data: 13222-45-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C7F12/c8-4(9,10)2(5(11,12)13)1-3(6(14,15)16)7(17,18)19

Upstream product

• 10436-05-2 3,3-bis-trifluoromethyl-4-(2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-oxetan-2-one 
• 684-22-0 bis(trifluoromethyl)ketene 
• 2314-97-8 iodotrifluoromethane 
• 79307-15-6 1,3-dichloro-2,3-bistrifluoromethylcyclopropene 
• 382-21-8 perfluoroisobutylene 
• 38568-21-7 2,2-dibromo-1,1,1,3,3,3-hexafluoropropane 
• 110085-07-9 perfluoro-1,2-diisopropylidene-3,3-dimethylcyclobutane 
• 98-88-4 benzoyl chloride 

Downstream Products

• 54316-03-9 C₂₁H₂₂F₁₂N₂ 
• 38005-09-3 [3,3,3-Trifluoro-2-trifluoromethyl-1-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-propenyloxymethyl]-benzene 
• 116-14-3 polytetrafluoroethylene 
• 76-16-4 Hexafluoroethane 
• 699-39-8 perfluoro-1,3-cyclopentadiene 
• 711-40-0 1-benzyl-3-(1-difluoromethylene-2,2,3,3,5,5-hexafluoropent-4-enyl)-2,5-dimethyl-1H-pyrrole 
• 692-50-2 hexafluoro-2-butyne 
• 455-32-3 benzoyl fluoride 
• 38705-73-6 1,1,1,5,5,5-Hexafluoro-2,4-bis-trifluoromethyl-pent-2-en-3-olatebenzyl-trimethyl-ammonium; 

Relevant articles and documents

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How trimethyl(trifluoromethyl)silane reacts with itself in the presence of naked fluoride - A one-pot synthesis of bis([15]crown-5)cesium 1,1,1,3,5,5,5,-heptafluoro-2,4-bis(trifluoromethyl)pentenide

Reactions of trimethyl(trifluoromethyl)silane in the presence of "naked" fluoride proceed up to a temperature of +5°C mainly with formation of [Me3Si(CF3)2]. A further rise of temperature up to about 20°C gives evidence for the formation of a salt with the 1,1,1,2,3,6,6,6-octafluoro2,4,4,5,5-pentakis(trifluoromethyl)hexan-3-ide anion. This intermediate decomposes at room temperature into the 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pentenide anion. The bis([15]crown-5)cesium salt, [Cs([15]crown-5)2] [(CF 3)2CCFC(CF3)2] has been characterized unambiguously as the stable final product of this reaction sequence. Thermal decomposition of this salt opens a convenient nontoxic route to obtain 1,1,3,3-tetrakis(trifluoromethyl)allene, (F3C) 2C=C=C(CF3)2.

Cyclopropene Chemistry. Part 1. Preparation and Some Reactions of 3,3-Dichloro-1,2-bistrifluoromethyl- and 1,3-Dichloro-2,3-bistrifluoromethyl-cyclopropene

Both the title compounds may be obtained from the reaction of dichlorocarbene with hexafluorobut-2-yne; the 3,3-dichloro-compound is isomerised to the 1,3-dichloro-isomer by heat, light, or chemical catalysis, but conditions are described for the preparation of either pure cyclopropene.Treatment of either isomer with antimony pentafluoride gives solutions containing the chlorobistrifluoromethylcyclopropenium ion.Both isomers undergo free-radical addition of halogens, but the slow reaction of the 1,3-dichloro-compound with trifluoromethyl radicals gives a mixture of products.Diels-Alder reactions of both cyclopropenes with cyclopentadiene or with furan are described, and the 3,3-dichloro-compound gives a high yield of 'ene'-reaction products with (E)-but-2-ene.