2264-21-3

Basic information

• Product Name: CF3
• Synonyms: CF3
• CAS NO: 2264-21-3
• Molecular Formula: CF₃
• Molecular Weight: 69.0059096
• Mol File: 2264-21-3.mol
• Article Data: 28

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• CAS DataBase Reference: CF3(CAS DataBase Reference)
• NIST Chemistry Reference: CF3(2264-21-3)
• EPA Substance Registry System: CF3(2264-21-3)

Safety Data

• Hazardous Substances Data: 2264-21-3(Hazardous Substances Data)

Usage

InChI:InChI=1/CF3/c2-1(3)4

Upstream product

• 75-63-8 Bromotrifluoromethane 
• 623-26-7 terephthalonitrile radical anion 
• 1009-61-6 1,4-diacetylbenzene anion radical 
• 86-53-3 1-cyanonaphthalene anion radical 
• 486-25-9 radical anion of fluorene-9-one 
• 754-34-7 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane 
• 383-63-1 ethyl trifluoroacetate, 
• 62268-73-9 diphenylcarbene 
• 74586-02-0 phenylnitrene anion radical 
• 684-16-2 Hexafluoroacetone 
• 2314-97-8 iodotrifluoromethane 
• 116-14-3 polytetrafluoroethylene 
• 75-72-9 chlorotrifluoromethane 
• 116-15-4 perfluoropropylene 

Downstream Products

• 75-46-7 trifluoromethan 
• 16040-26-9 trifluoro-acetyloxyl 
• 421-07-8 1,1,1-trifluoropropane 
• 677-21-4 1,1,1-trifluoropropylene 
• 407-59-0 1,1,1,4,4,4-hexafluorobutane 
• 3834-39-7 1,1,1,6,6,6-hexafluorohexane 
• 353-50-4 Carbonyl fluoride 
• 21811-29-0 trifluoroketone 
• 690-27-7 2H-pentafluoropropene 
• 2924-29-0 2,2-dihydroperfluorobutane 
• 75-63-8 Bromotrifluoromethane 
• 116-15-4 perfluoropropylene 
• 2154-59-8 difluoro-methylene 
• 75-73-0 carbon tetrafluoride 

Relevant articles and documents

Competing pathways in the infrared multiphoton dissociation of hexafluoropropene

The infrared multiphoton dissociation of hexafluoropropene was studied by photofragment translational spectroscopy. Two primary channels and one secondary channel were identified. The predominant primary channel produces CF3CF or C2F4 and CF2, with the heavier species undergoing further dissociation to two CF2 fragments. A number of dissociation mechanisms are proposed for the elimination of CF2, including direct cleavage of the carbon - carbon double bond. In the second primary channel, a simple bond rupture reaction produces CF3 and C2F3. As expected, the translational energy distribution for this channel peaks near zero, indicating no exit barrier is present. The activation energy for this simple bond rupture is estimated to be 100-105 kcal/mol. The branching ratio, [CF2]/[CF3], between the two primary pathways is 4.0 ± 1.0.

Photoinduced Sulfur-Nitrogen Bond Rotation and Thermal Nitrogen Inversion in Heterocumulene OSNSO

An exotic ternary S, N, O heterocumulene OSNSO in syn-syn (A) and syn-anti (B) conformations has been generated in the gas phase through flash vacuum pyrolysis of CF3S(O)NSO at 700 K. Upon visible light irradiation (570 ± 20 or 532 nm), both A and B, isolated in cryogenic matrices (N2, Ne, Ar, and Kr, a higher-energy anti-anti conformer (C). The reverse conformational transformation occurs either through S=N bond rotation (C to A and B) under visible light irradiation (400 ± 20 nm) at 2.8 K or through thermal nitrogen inversion (C to A) in the temperature range of 20-30 K, for which an exceptionally low activation barrier of 1.18 ± 0.07 kcal mol-1 has been experimentally determined.

FTIR spectroscopic study of 1,1,1-trifluoro-2-chloroethyl and 1,1,1- trifluoro-2-chloroethylperoxyl radicals

A combination of matrix isolation and FTIR spectroscopy was applied to investigate 1,1,1-trifluoro-2-chloroethyl (1) and 1,1,1-trifluoro-2- chloroethylperoxyl (2) radicals. Radical 2 was obtained by vacuum pyrolysis of 1,1,1-trifluoro-2-bromo-2-chloroethane (3). Corresponding peroxyl radicals was generated by co-condensation of pyrolysis products and molecular oxygen in an argon matrix. To assign the experimental bands DFT calculations (B3LYP/6-311G**) were carried out. The fundamental bands of O-O and C-O stretching vibrations of peroxyl radical CF3CHClOO (1102.1, 972.7, cm-1) were identified by their red shifts to 1044.7 and 954.1 cm-1 in the spectra of 18O substituted derivatives. UV photolysis of the radical 2 in the low- temperature matrix produced difluoroformaldehyde CF2O, radicals ClCO, CF3, as well as CO and HCl as the primary photoproducts.

Products of the ultraviolet photodissociation of trifluoroacetic acid and acrylic acid

The photodissociation of trifluoroacetic and acrylic acids by the ultraviolet light from a flashlamp has been investigated by measuring the relative yields of some of the major products by time-resolved infrared absorption using tunable, narrow band diode lasers. Yields of CO2 were measured both in the absence and presence of added O2. The former experiments measure the CO2 produced directly by decarboxylation of the acid, channel (2) below, the latter the sum of the yields from channels (1) and (2) since HOCO is rapidly converted to CO2. The yields of CO from the decarbonylation channel (3) have also been measured. For trifluoroacetic acid, the relative yields are found to be [HOCO]: [CO2]: [CO] = (0.28 ± 0.07): (0.61 ± 0.09): (0.11 ± 0.06) and, for acrylic acid, [HOCO]: [CO2]: [CO] = (0.32 ± 0.08): (0.37 ± 0.08) :(0.31 ± 0.09). The results are discussed in relation to the other, limited, measurements on the photodissociation of these acids and whether these three processes are likely to occur independently of one another.