S-(trifluoromethyl)diphenylsulfonium tetrafluoroborate
iodotrifluoromethane
Conditions | Yield |
---|---|
With sodium iodide In acetonitrile for 0.25h; Heating; | 100% |
Conditions | Yield |
---|---|
With iodine byproducts: phophorus iodide; 280°C (48 h); | 95% |
Conditions | Yield |
---|---|
With sodium iodide In acetonitrile at 70℃; for 2h; Inert atmosphere; | 86% |
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 15% |
With iodine monofluoride; palladium on activated carbon; copper on carbon; platinum on activated charcoal at 250 - 550℃; Product distribution / selectivity; Vapor phase; |
tris(trifluoromethyl)arsine
iodine
A
iodotrifluoromethane
B
trifluoromethyl-arsonous acid diiodide
C
iodo-bis-trifluoromethyl-arsine
D
arsenic triiodide
Conditions | Yield |
---|---|
100°C, 48 h; at high temp. more AsI3 and CF3I; | A 80% B 5% C 8% D n/a |
100°C, 48 h; at high temp. more AsI3 and CF3I; | A 80% B 5% C 8% D n/a |
metyhyl chlorodifluoroacetate
A
iodotrifluoromethane
B
carbon dioxide
C
difluorodiiodomethane
D
methyl iodide
Conditions | Yield |
---|---|
With potassium fluoride; copper(l) iodide; iodine In N,N-dimethyl-formamide at 120℃; for 3h; Mechanism; other bromodifluoroacetate deriv.; var. temp. and times of reaction; | A 77% B n/a C 10% D n/a |
metyhyl chlorodifluoroacetate
A
iodotrifluoromethane
B
difluorodiiodomethane
C
methyl iodide
Conditions | Yield |
---|---|
With potassium fluoride; copper(l) iodide; iodine In N,N-dimethyl-formamide at 120℃; for 3h; | A 77% B 10% C n/a |
Conditions | Yield |
---|---|
With lithium iodide at 180℃; for 7h; | 73% |
trifluoroacetyl fluoride
A
iodotrifluoromethane
B
trifluoroacetyl iodide
Conditions | Yield |
---|---|
With lithium iodide at 180℃; for 7h; | A 73% B 26% |
Conditions | Yield |
---|---|
With potassium fluoride; copper(l) iodide; iodine In N,N-dimethyl-formamide at 80℃; for 5h; | A 70% B n/a |
Conditions | Yield |
---|---|
With hydrogen iodide; oxygen at 500℃; Product distribution / selectivity; | 67% |
With oxygen; iodine monofluoride at 550℃; Product distribution / selectivity; | 40% |
With iodine monofluoride at 550℃; Product distribution / selectivity; | 40% |
tris(trifluoromethyl)arsine
methyl iodide
A
trifluoromethan
B
iodotrifluoromethane
C
methylbistrifluoromethylarsine
D
iodo-bis-trifluoromethyl-arsine
E
Trifluormethyl-methyl-iodarsin
Conditions | Yield |
---|---|
235°C, 24 h; no formation of F3CCH3; | A n/a B 64% C n/a D n/a E n/a |
bis(trifluoromethyl)mercury
antimony triiodide
A
iodotrifluoromethane
B
tris(trifluoromethyl)stibane
C
Bis(trifluormethyl)-jodstiban
Conditions | Yield |
---|---|
SbI3 and Hg(CF3)2 heated to 165°C for 8h; at -131°C sepd. (CF3)2SbI and Sb(CF3)3; | A n/a B 63% C 2% |
dichloro-trifluoromethyl-λ3-iodane
silver trifluoroacetate
A
chlorotrifluoromethane
B
iodotrifluoromethane
C
Trifluoromethyliodine(III) bis-trifluoroacetate
Conditions | Yield |
---|---|
In acetonitrile at -40℃; | A n/a B n/a C 56% |
tris(trifluoromethyl)phosphine
methyl iodide
A
iodotrifluoromethane
B
methyl-bis-trifluoromethyl-phosphine
Conditions | Yield |
---|---|
240°C, 24 h; | A n/a B 54% |
tris(trifluoromethyl)stibane
A
iodotrifluoromethane
C
Bis(trifluormethyl)-jodstiban
Conditions | Yield |
---|---|
With iodine shaking in sealed tube for 30 min; | A n/a B 14% C 54% |
With I2 shaking in sealed tube for 30 min; | A n/a B 14% C 54% |
With iodine room temp.; | |
With iodine room temp.; |
iodo-bis-trifluoromethyl-phosphine
A
iodotrifluoromethane
B
Hexafluoroethane
C
trifluoromethyldiiodophosphine
D
tris(trifluoromethyl)phosphine
E
phosphorous triiodide
Conditions | Yield |
---|---|
205°C (48 h); | A 2% B 8% C 2% D 45% E n/a |
trifluoromethyldiiodophosphine
A
iodo-bis-trifluoromethyl-phosphine
B
iodotrifluoromethane
C
tris(trifluoromethyl)phosphine
D
phosphorous triiodide
Conditions | Yield |
---|---|
240°C (48 h); | A 41% B 13% C 23% D n/a |
In neat (no solvent) heating to 240°C;; |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 40% |
With iodine heptafluoride; dihydrogen peroxide; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
With dihydrogen peroxide; iodine pentafluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 40% |
With iodine heptafluoride; dihydrogen peroxide; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
With dihydrogen peroxide; iodine pentafluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 40% |
With iodine heptafluoride; dihydrogen peroxide; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
With dihydrogen peroxide; iodine pentafluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 40% |
With iodine heptafluoride; dihydrogen peroxide; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
With dihydrogen peroxide; iodine pentafluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
trifluoromethyl disulphide
iodotrifluoromethane
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 40% |
With iodine heptafluoride; dihydrogen peroxide; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
With dihydrogen peroxide; iodine pentafluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 30% |
tris(trifluoromethyl)phosphine
iodine
A
iodo-bis-trifluoromethyl-phosphine
B
iodotrifluoromethane
C
trifluoromethyldiiodophosphine
D
phosphorous triiodide
Conditions | Yield |
---|---|
180°C, 24 h; | A 16% B 34% C 4% D n/a |
tris(trifluoromethyl)arsine
A
iodotrifluoromethane
B
trifluoromethyl-arsonous acid diiodide
C
iodo-bis-trifluoromethyl-arsine
Conditions | Yield |
---|---|
100-105°C, 72 h; | A 28% B n/a C 22% |
Conditions | Yield |
---|---|
With hydrogen; iodine monofluoride; 3 weight% Pd/C In dimethyl sulfoxide; N,N-dimethyl-formamide at 100℃; Product distribution / selectivity; | 20% |
With iodine monofluoride; zinc; 3 weight% Pd/C In dimethyl sulfoxide; N,N-dimethyl-formamide at 100℃; Product distribution / selectivity; | 20% |
With iodine Product distribution; Irradiation; thermal + multiple photon IR laser excitation; different laser energy fluence and temperatures; |
tris(trifluoromethyl)arsine
methyl iodide
A
iodotrifluoromethane
B
Hexafluoroethane
C
methylbistrifluoromethylarsine
Conditions | Yield |
---|---|
Irradiation (UV/VIS); with UV-light; | A 18% B 15% C n/a |
CF13IO2Te2
A
carbon tetrafluoride
B
iodotrifluoromethane
C
CF8OTe
Conditions | Yield |
---|---|
at 25℃; for 2h; | A n/a B n/a C 17% D n/a |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 15% |
With potassium iodide at 200℃; | |
With iodine monofluoride; palladium on activated carbon; copper on carbon; platinum on activated charcoal at 250 - 550℃; Product distribution / selectivity; Vapor phase; | |
With hydrogen iodide at 350℃; for 0.00555556h; Catalytic behavior; Reagent/catalyst; | 65.19 %Chromat. |
With 0.5% Pd/Al2O3; hydrogen; iodine at 150 - 350℃; Flow reactor; |
(trifluoromethyl)trimethylsilane
iodotrifluoromethane
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 15% |
With iodine; oxygen; palladium on activated charcoal at 350℃; Product distribution / selectivity; | |
With sulfuric acid; iodine; oxygen; bis(acetylacetonate)oxovanadium In Hexafluorobenzene at 30 - 150℃; for 12h; Product distribution / selectivity; | |
With iodine monofluoride; palladium on activated carbon; copper on carbon; platinum on activated charcoal at 250 - 550℃; Product distribution / selectivity; Vapor phase; |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine monofluoride; bis(acetylacetonate)oxovanadium In water Product distribution / selectivity; Heating / reflux; | 15% |
With iodine monofluoride; palladium on activated carbon; copper on carbon; platinum on activated charcoal at 250 - 550℃; Product distribution / selectivity; Vapor phase; |
iodotrifluoromethane
perfluoro-NN'-dimethylethane-1,2-bis(amino-oxyl) diradical
Conditions | Yield |
---|---|
for 24h; Irradiation; | 100% |
iodotrifluoromethane
tetramethylammonium fluoride
(trifluoromethyl)trimethylsilane
Conditions | Yield |
---|---|
In tetrahydrofuran at -60℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With Tetrakis(dimethylamino)ethylen In N,N-dimethyl-formamide at 0 - 20℃; for 12h; | 100% |
With Tetrakis(dimethylamino)ethylen In N,N-dimethyl-formamide at 0 - 20℃; |
iodotrifluoromethane
1-Isopropyl-5-methoxy-2-(toluene-4-sulfonyl)-4-trifluoromethyl-benzene
Conditions | Yield |
---|---|
Stage #1: 1-iodo-4-isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-benzene With potassium fluoride; copper(l) iodide In DMF (N,N-dimethyl-formamide) at 120℃; Stage #2: iodotrifluoromethane In DMF (N,N-dimethyl-formamide) for 4.5h; | 100% |
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 20℃; for 4.5h; | 100% |
Conditions | Yield |
---|---|
In acetonitrile byproducts: EtI; Ar-atmosphere; stirring (-23°C); evapn. (vac.); | 100% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 120℃; for 4h; | 100% |
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 120℃; for 4.5h; | 100% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With paraquat dichloride; triethylamine In N,N-dimethyl-formamide at -78 - 20℃; for 18h; Sealed tube; | 100% |
Conditions | Yield |
---|---|
at -78℃; for 0.333333h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
at -78℃; for 0.333333h; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
at -78 - 23℃; Schlenk technique; Inert atmosphere; | 100% |
at -78 - 23℃; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
at -78 - 23℃; Schlenk technique; Inert atmosphere; | 100% |
at -78 - 23℃; Inert atmosphere; | 100% |
at -78℃; |
iodotrifluoromethane
Conditions | Yield |
---|---|
With paraquat dichloride; triethylamine In N,N-dimethyl-formamide at -78 - 20℃; for 24h; | 99.6% |
iodotrifluoromethane
diphenyl diselenide
phenyl trifluoromethylselenide
Conditions | Yield |
---|---|
With Tetrakis(dimethylamino)ethylen In N,N-dimethyl-formamide at 0 - 20℃; | 99% |
With rongalite In water; N,N-dimethyl-formamide at 20℃; | 28% |
With Tetrakis(dimethylamino)ethylen In N,N-dimethyl-formamide at 0 - 20℃; |
Conditions | Yield |
---|---|
In chloroform byproducts: EtI; 2.5 equiv. CF3I, -40°C, 10 min (pptn.); removal of volatiles (vac.); | 99% |
In not given absence of air and moisture; in presence of 1 equiv. HCF2I; |
iodotrifluoromethane
triluoromethyl(triphenylphosphine)gold(I)
Conditions | Yield |
---|---|
In dichloromethane byproducts: MeI; 4 equiv. of CF3I, standing in sealed tube at 35°C for 45 min; evapn.; elem. anal.; | 99% |
iodotrifluoromethane
1-(8-Bromo-7-methoxy-1-phenyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-2,2,2-trifluoro-ethanone
2,2,2-Trifluoro-1-(7-methoxy-1-phenyl-8-trifluoromethyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone
Conditions | Yield |
---|---|
With copper In N,N-dimethyl-formamide at 150℃; | 98% |
iodotrifluoromethane
1-(8-Bromo-6-chloro-7-methoxy-1-phenyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-2,2,2-trifluoro-ethanone
1-(6-Chloro-7-methoxy-1-phenyl-8-trifluoromethyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-2,2,2-trifluoro-ethanone
Conditions | Yield |
---|---|
With copper In N,N-dimethyl-formamide at 150℃; | 98% |
Conditions | Yield |
---|---|
With fac-tris(2-phenylpyridinato-N,C2')iridium(III); 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran; acetonitrile at 20℃; Sealed tube; Inert atmosphere; Irradiation; diastereoselective reaction; | 98% |
Conditions | Yield |
---|---|
With pyrrolidine; Diphenylacetaldehyde In dichloromethane at 20℃; for 16h; Inert atmosphere; Irradiation; | 98% |
With Eosin Y; sodium thiosulfate In acetonitrile at 20℃; for 1h; Inert atmosphere; Irradiation; | 53% |
Conditions | Yield |
---|---|
With 5,10-di(4-trifluoromethylphenyl)-5,10-dihydrophenazine; potassium formate In N,N-dimethyl acetamide at 40℃; for 6h; Irradiation; | 98% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine In dimethyl sulfoxide at 20℃; for 36h; Schlenk technique; Irradiation; | 98% |
Conditions | Yield |
---|---|
With platinum(II) (2-phenylpyridinato-N,C(2'))(2,4-pentanedionato-O,O); 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 6h; Quantum yield; Sealed tube; Irradiation; Inert atmosphere; | 97% |
With tris(1,10-phenanthroline)ruthenium(II) dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 2h; Solvent; Inert atmosphere; | 96% |
With tris(1,10-phenanthroline)ruthenium(II) dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; Inert atmosphere; Irradiation; regioselective reaction; | 95% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene; tri-(9-anthryl)borane In acetonitrile at 20℃; for 3h; Reagent/catalyst; Solvent; Wavelength; Inert atmosphere; Irradiation; | 93% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; eosin y In N,N-dimethyl-formamide at 20℃; for 0.5h; Reagent/catalyst; Concentration; Solvent; Time; Inert atmosphere; Irradiation; | 97% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine In dimethyl sulfoxide at 20℃; for 36h; Schlenk technique; Irradiation; | 97% |
Conditions | Yield |
---|---|
With (dppf)Ni(o-tol)Cl; sodium t-butanolate In Hexafluorobenzene at 50℃; for 16h; Inert atmosphere; Schlenk technique; Sealed tube; | 97% |
iodotrifluoromethane
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-bromo-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(trifluoromethyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
Conditions | Yield |
---|---|
With copper(l) iodide; zinc In N,N-dimethyl-formamide at 70℃; for 10h; | 96% |
iodotrifluoromethane
2-iodo-5-bromopyridine
zinc
5-bromo-2(trifluoromethyl)pyridine
Conditions | Yield |
---|---|
Stage #1: iodotrifluoromethane; zinc With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone at 20℃; for 2h; Inert atmosphere; Stage #2: 2-iodo-5-bromopyridine With copper(l) iodide at 50℃; for 24h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; chemoselective reaction; | 96% |
Conditions | Yield |
---|---|
With platinum(II) (2-phenylpyridinato-N,C(2'))(2,4-pentanedionato-O,O); 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; Sealed tube; Irradiation; Inert atmosphere; | 96% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; eosin y In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Irradiation; | 96% |
iodotrifluoromethane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; eosin y In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Irradiation; | 96% |
The Trifluoromethyl iodide, with the CAS registry number 2314-97-8 and EINECS registry number 219-014-5, has the systematic name of trifluoro(iodo)methane. And the molecular formula of this chemical is CF3I. It is a kind of colourless gas, and very stable in normal condition.
The physical properties of Trifluoromethyl iodide are as following: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.93; (6)ACD/BCF (pH 7.4): 29.93; (7)ACD/KOC (pH 5.5): 396.47; (8)ACD/KOC (pH 7.4): 396.47; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 20.1 cm3; (15)Molar Volume: 80.2 cm3; (16)Polarizability: 7.97×10-24cm3; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 2.44 g/cm3; (19)Enthalpy of Vaporization: 22.18 kJ/mol; (20)Boiling Point: °C at 760 mmHg; (21)Vapour Pressure: 3650 mmHg at 25°C.
Preparation and uses of Trifluoromethyl iodide: It can be prepared by heating the silver salt of trifluoroacetic acid (TFA) and iodine. And it is a important reagent to take the triflouro to the molecule. It can react with organometallic compounds and ethylenic linkage compounds.
You should be cautious while dealing with this chemical. It may cause irreversible effects. Therefore, you had betterwear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)I
(2)InChI: InChI=1/CF3I/c2-1(3,4)5
(3)InChIKey: VPAYJEUHKVESSD-UHFFFAOYAR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LCLo | inhalation | 1pph/4H (10000ppm) | Fundamental and Applied Toxicology. Vol. 35, Pg. 64, 1997. |
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