Conditions | Yield |
---|---|
With hydrogen fluoride at 225 - 250℃; | 90% |
With hydrogen fluoride; activated by HF amorphous Zn/chromia catalyst at 200℃; under 760.051 Torr; for 15h; Inert atmosphere; | 100 %Chromat. |
With hydrogen fluoride; activated by HF amorphous Zn/chromia catalyst at 200℃; under 760.051 Torr; for 15h; Inert atmosphere; | 100 %Chromat. |
1,1,1-trifluoropropan-2-yl 1,1,2,2,3,3 ,4,4,4-nonafluorobutane-1-sulfonate
1,1,1-trifluoropropylene
Conditions | Yield |
---|---|
With potassium fluoride; 18-crown-6 ether In acetylacetone at 100 - 140℃; | 80% |
3,3,3-Trifluoropropanol
A
1,1,1,3-tetrafluoropropane
B
1,1,1-trifluoropropylene
Conditions | Yield |
---|---|
With cesium fluoride; sulphur hexafluoride; 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene In dichloromethane-d2 at 20℃; for 0.5h; Inert atmosphere; UV-irradiation; Overall yield = 38%; | A 79% B n/a |
Conditions | Yield |
---|---|
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 100℃; for 10h; | 56% |
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 100 - 120℃; for 7h; |
2-bromo-3,3,3-trifluoropropene
A
1,1-difluoroallene
B
1,1,1-trifluoropropylene
Conditions | Yield |
---|---|
Stage #1: 2-bromo-3,3,3-trifluoropropene With n-butyllithium In diethyl ether at -78℃; for 0.25h; Stage #2: With methanol In diethyl ether at -78℃; | A 54% B 20% |
Stage #1: 2-bromo-3,3,3-trifluoropropene With sec.-butyllithium In diethyl ether; cyclohexane at -105℃; for 0.25h; Stage #2: With methanol In diethyl ether; cyclohexane at -105℃; | A 26 % Spectr. B 60 % Spectr. |
Stage #1: 2-bromo-3,3,3-trifluoropropene With n-butyllithium In diethyl ether; cyclohexane at -78℃; for 0.25h; Stage #2: With methanol In diethyl ether; cyclohexane at -78℃; | A 54 % Spectr. B 20 % Spectr. |
1,1,1,3,3,3-hexafluoro-2-methyl-propane
A
trifluoromethan
B
1,1,1-trifluoropropylene
C
1,1,3,3,3-pentafluoro-2-methyl-1-propene
Conditions | Yield |
---|---|
With nickel at 660℃; Product distribution / selectivity; | A 43.5% B 24.5 %Chromat. C 0% |
Conditions | Yield |
---|---|
With potassium hydroxide |
Conditions | Yield |
---|---|
With dichloromethane; alkali hydroxide | |
With alkaline solution | |
durch HCl-Abspaltung; |
Conditions | Yield |
---|---|
With potassium hydroxide | |
With potassium hydroxide |
Conditions | Yield |
---|---|
With antimony dichloride trifluoride; antimony(III) fluoride; 1,2-dichloro-ethane |
Conditions | Yield |
---|---|
at 490℃; |
Conditions | Yield |
---|---|
With sulfur tetrafluoride | |
With sulfur tetrafluoride at 130℃; for 8h; |
Conditions | Yield |
---|---|
(pyrolysis); |
propionic acid
trifluoroacetic acid
A
1,1,1-trifluoropropylene
B
1,1,1,4,4,4-hexafluorobutane
C
1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butane
D
1,1,1,6,6,6-hexafluoro-3-trifluoromethyl-hexane
Conditions | Yield |
---|---|
With sodium proprionate In water (electrolysis); |
1,1,1-trifluoro-3-iodopropane
perfluorobis(methyl)propylmethyl carbanion
A
1,1,1-trifluoropropylene
B
1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane
1,1,1-trifluoro-3-iodopropane
A
1,1,1-trifluoropropylene
B
perfluoro-2-methyl-2-pentene
C
1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane
Conditions | Yield |
---|---|
With perfluoro-4-methyl-2-pentene; cesium fluoride In N,N-dimethyl-formamide at 60℃; for 18h; |
ethene
iodotrifluoromethane
A
1,1,1-trifluoro-3-iodopropane
B
vinyliodide
C
1,1,1-trifluoropropylene
D
acetylene
Conditions | Yield |
---|---|
under 820 Torr; Quantum yield; Irradiation; CO2 laser induced telomerization; |
perfluoro-4-methyl-2-pentene
A
1,1,1-trifluoropropylene
B
perfluoro-2-methyl-2-pentene
C
1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane
Conditions | Yield |
---|---|
With 1,1,1-trifluoro-3-iodopropane; cesium fluoride In N,N-dimethyl-formamide at 60℃; for 18h; |
Conditions | Yield |
---|---|
Rate constant; |
ethene
trifluoroacetic anhydride
A
1,1,1-trifluoropropane
B
1,1,1-trifluoropropylene
C
1,1,1,6,6,6-hexafluorohexane
D
1,1,1,8,8,8-Hexafluoro-octane
Conditions | Yield |
---|---|
at 26.9℃; under 50.3 Torr; Irradiation; Further byproducts given; | A 9.5 % Chromat. B 9.8 % Chromat. C 71.0 % Chromat. D 7.8 % Chromat. |
at 26.9℃; under 50.3 Torr; Irradiation; Further byproducts given; | A 8.2 % Chromat. B 8.0 % Chromat. C 83.0 % Chromat. D 0.4 % Chromat. |
1,1,1-trifluoro-3-iodopropane
A
1,1,1-trifluoropropylene
B
1,1,1,6,6,6-hexafluorohexane
Conditions | Yield |
---|---|
With silver at -73.1 - 76.9℃; Thermodynamic data; activation energy: E(a); |
trifluoromethyl radical
3,3,3-trifluoro-propyl
A
1,1,1-trifluoropropane
B
1,1,1-trifluoropropylene
C
1,1,1,4,4,4-hexafluorobutane
D
1,1,1,6,6,6-hexafluorohexane
Conditions | Yield |
---|---|
disproportionation-combination rate constant ratio for gas-phase; comparison of substituent effects; |
3,3,3-trifluoro-propyl
A
1,1,1-trifluoropropane
B
1,1,1-trifluoropropylene
C
1,1,1,4,4,4-hexafluorobutane
D
1,1,1,6,6,6-hexafluorohexane
Conditions | Yield |
---|---|
disproportionation-combination rate constant ratio for gas-phase; comparison of substituent effects; |
3,3,3-trichloro-1-propene
antimony(III) fluoride
1,2-dichloro-ethane
1,1,1-trifluoropropylene
ethyl chlorooximidoacetate
1,1,1-trifluoropropylene
ethyl 5-(trifluoromethyl)-4,5-dihydroisoxazole-3-carboxylate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethyl acetate at -65 - 25℃; for 72h; Inert atmosphere; | 100% |
With sodium hydrogencarbonate In ethyl acetate at -78 - 20℃; for 60h; | 3.2 g |
Conditions | Yield |
---|---|
With pyridine; sodium metabisulfite; osmium(VIII) oxide multistep reaction; stoichiometric and catalytic oxidation of electron-poor olefins with OsO4; other fluoroolefins; | 99% |
With pyridine; sodium metabisulfite; osmium(VIII) oxide 1) n-hexane, r.t., 1 h, 2) H2O, pyridine, 24 h; Yield given. Multistep reaction; | |
With pyridine; potassium carbonate; sodium sulfite; potassium hexacyanoferrate(III); K2 1) H2O, t-BuOH, 24 h, 2) 1 h; Yield given. Multistep reaction; |
tetrachloromethane
1,1,1-trifluoropropylene
1,1,1,3-tetrachloro-4,4,4-trifluorobutane
Conditions | Yield |
---|---|
With phosphoric acid tributyl ester; iron at 110℃; for 3h; | 98.5% |
With 2,2'-azobis(isobutyronitrile); 4-fluoroaniline; copper(I) bromide at 60℃; for 4h; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere; | 94.2% |
iron(III) chloride; phosphoric acid tributyl ester; iron at 80 - 100℃; under 2311.54 Torr; | 90% |
1,1,1-trifluoropropylene
Conditions | Yield |
---|---|
With antimony; iodine; iodine pentafluoride; sodium iodide at 15℃; under 2250.23 Torr; Temperature; Pressure; Inert atmosphere; Large scale; | 98.2% |
With iodine monofluoride |
Conditions | Yield |
---|---|
hydridocarbonyltris(triphenylphosphine)rhodium(I) In neat (no solvent) Kinetics; borazine and the propene (ratio 8.4:1) reacted in the presence of a catalytic amt. Rh-complex at room temp. for 1 h; vacuum line fractionation of mixt. through a 0, -45, -110 and -196°C trap series, product found in the -45°C trap, elem. anal.; | 98% |
1,1,1-trifluoropropylene
Methyl thioglycolate
methyl 2-(3,3,3-trifluoropropylthio)acetate
Conditions | Yield |
---|---|
2,2’-azobis(4-methoxy-2,4-dimethyl)valeronitrile at -78 - 20℃; for 20h; Product distribution / selectivity; | 98% |
Conditions | Yield |
---|---|
With bromine at 25℃; for 1.5h; Irradiation; | 96% |
With bromine Irradiation; | 84% |
With bromine |
Phenylselenyl chloride
1,1,1-trifluoropropylene
1-(trifluoromethyl)-2-chloroethyl phenyl selenide
Conditions | Yield |
---|---|
In dichloromethane 1) dry ice/acetone, 2) 60 deg C, overnight; | 95% |
1,1,1-trifluoropropylene
N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at -30 - 20℃; Inert atmosphere; | 95% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 200℃; under 3750.38 Torr; | 93.2% |
Triethoxysilane
1,1,1-trifluoropropylene
triethoxy-(3,3,3-trifluoro-propyl)-silane
Conditions | Yield |
---|---|
With platinum immobilized on polystyrene functionalized with polyethylene glycol and pyridine groups (N/Pt atom ratio of 6:1) at 60℃; under 750.075 Torr; for 6h; Sealed vessel; | 92.5% |
RhCl(PPh3)3 at 120℃; for 24h; | 85% |
Conditions | Yield |
---|---|
Stage #1: carbon monoxide With hydroxo(1,5-cyclooctadiene)rhodium (I) dimer; hydrogen; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 100℃; under 380.026 Torr; for 1h; Stage #2: 1,1,1-trifluoropropylene In N,N-dimethyl-formamide at 100℃; under 190.013 - 570.038 Torr; for 18h; | 92% |
With dichloro( 1,5-cyclooctadiene)platinum(ll); hydrogen; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; tin(ll) chloride In toluene at 80℃; under 72007.2 Torr; for 48h; Inert atmosphere; Autoclave; Schlenk technique; regioselective reaction; |
2,2,2-trifluoroethanol
1,1,1-trifluoropropylene
1,1-difluoro-3-(2,2,2-trifluoro-ethoxy)-propene
Conditions | Yield |
---|---|
With sodium hydroxide In 1-methyl-pyrrolidin-2-one at 60℃; under 1500.15 Torr; Autoclave; | 91.8% |
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 170℃; under 5250.53 Torr; | 91.2% |
Conditions | Yield |
---|---|
Stage #1: 1,1,1-trifluoropropylene With N-Bromosuccinimide; sulfuric acid; acetic acid at 80 - 100℃; for 4h; Stage #2: In methanol at 40℃; for 9h; | 90.2% |
With water; hypobromous acid at -10℃; | |
With mercury(II) diacetate; water; bromine |
1,1,1-trifluoropropylene
tris(trifluoromethyl)phosphine
A
1,1,1-trifluoropropane
B
tetrakis(trifluoromethyl)diphosphine
Conditions | Yield |
---|---|
Irradiation; | A 1% B 4% C 90% |
1,1,1-trifluoropropylene
carbon monoxide
A
4,4,4-trifluorobutanal
B
3,3,3-trifluoro-2-methylpropionaldehyde
Conditions | Yield |
---|---|
With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I) In toluene at 80℃; for 15h; in an autoclave; | A 2.6% B 90% |
Stage #1: carbon monoxide With hydroxo(1,5-cyclooctadiene)rhodium (I) dimer; hydrogen; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 80℃; under 190.013 - 570.038 Torr; for 1h; Stage #2: 1,1,1-trifluoropropylene In N,N-dimethyl-formamide at 80℃; for 15h; Solvent; Reagent/catalyst; Pressure; Temperature; | A 89% B 1.2% |
With hydrogen; dicobalt octacarbonyl 1.) toluene, room temperature, 130 atm, 2.) 100 deg C, 20 h; Yield given. Multistep reaction. Yields of byproduct given; |
Dichloromethylsilane
1,1,1-trifluoropropylene
(α-trifluoromethylethyl)dichloromethylsilane
Conditions | Yield |
---|---|
With bis(benzonitrile)palladium(II) dichloride; triphenylphosphine at 100℃; for 14h; | 88% |
1,1,1-trifluoropropylene
1,1-difluoro-3-(dimethylphenylsilyl)propene
Conditions | Yield |
---|---|
In benzene-d6 at 22℃; for 0.25h; Temperature; Solvent; Inert atmosphere; Schlenk technique; | 88% |
1,1,1-trifluoropropylene
Conditions | Yield |
---|---|
In pentane byproducts: CO; (Ar); a soln. of Ni complex treated with ligand, stirred for 30 min; evapd. (vac.), washed (cold pentane); elem. anal.; | A 87% B 0% |
1,1,1-trifluoropropylene
benzenesulfenyl chloride
1-(trifluoromethyl)-2-chloroethyl phenyl sulfide
Conditions | Yield |
---|---|
In dichloromethane 1) dry ice/acetone, 2) 60 deg C, overnight; | 86% |
In dichloromethane at 70℃; | 86% |
In chloroform at 20℃; sealed glass tube; | 11.31 g |
Conditions | Yield |
---|---|
Stage #1: o-iodo-methyl-benzoic acid With norbornene; tetrabutylammonium acetate; palladium diacetate; XPhos In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: 1,1,1-trifluoropropylene In N,N-dimethyl-formamide at 115℃; under 5171.62 Torr; for 2h; Inert atmosphere; Flow reactor; | 86% |
Dichloromethylsilane
1,1,1-trifluoropropylene
methyl(3,3,3-trifluoropropyl)dichlorosilane
Conditions | Yield |
---|---|
RhCl(PPh3)3 at 120℃; for 12h; | 85% |
Irradiation.unter Einwirkung von UV-Licht; | |
With platinum at 250℃; |
1,1,1-trifluoropropylene
1,1,1,2,2-pentamethyl-2-phenyldisilane
1,1-difluoro-3-(dimethylphenylsilyl)propene
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran for 6h; Ambient temperature; | 85% |
1,1,1-trifluoropropylene
1,2-diphenyltetramethyldisilane
1,1-difluoro-3-(dimethylphenylsilyl)propene
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In N,N,N,N,N,N-hexamethylphosphoric triamide | 85% |
1,1,1-trifluoropropylene
tert-butyl 4-phenylbutanoate
Conditions | Yield |
---|---|
With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; | 85% |
1,1,1-trifluoropropylene
(2,4-bis(2,6-diisopropylphenylimino)pentan-3-ide-.kappa2N,N')aluminum(I)
Conditions | Yield |
---|---|
In benzene-d6 at 24.84℃; Glovebox; Schlenk technique; Inert atmosphere; | 85% |
Conditions | Yield |
---|---|
In benzene-d6 at 79.84℃; for 5h; Glovebox; Schlenk technique; Inert atmosphere; | 85% |
1,1,1-trifluoropropylene
borazine
A
2-(trifluoropropyl)borazine
B
2,4-bis-(trifluoropropyl)borazine
C
2,4,6-tris-(trifluoropropyl)borazine
Conditions | Yield |
---|---|
hydridocarbonyltris(triphenylphosphine)rhodium(I) In neat (no solvent) Kinetics; borazine and excess of the propene (ratio 1:2.9) reacted in the presence of a catalytic amt. Rh-complex at room temp. for 16 h, resulting product was a solid with a moist appearance; vacuum line fractionation of mixt. through a -78 and -196°C traps, 2-substd. and 2,4-products found in the -78°C trap; extn. (CH2Cl2) of solid residue, evapn. (ac.), solid sublimed at 80°C (2,4,6-product), elem. anal.; | A 14% B 84% C n/a |
MF: C3H3F3
MW: 96.051130 g/mol
EINECS: 211-637-0
Density: 0.940 g/cm3
Product Name: Trifluoropropene
IUPAC Name: 3,3,3-trifluoroprop-1-ene
Boiling Point: −18-−16 °C(lit.)
Vapour Pressure: 3190 mmHg at 25°C
Product Categories: Industrial/Fine Chemicals ; Chemical Synthesis ; Compressed and Liquefied Gases ; Synthetic Reagents
Synonyms: 1,1,1-Trifluoro-2-propene ; 1,1,1-Trifluoropropene ; 1-Propene, 3,3,3-trifluoro- ; 1-Propene,3,3,3-trifluoro ; 1-Propene,3,3,3-trifluoro- ; 3,3,3-Trifluoropropylene ; FC-1243zf ; Propene,3,3,3-trifluoro-
Following is the molecular structure of 1,1,1-Trifluoropropene (677-21-4):
1,1,1-Trifluoropropene (677-21-4) is used as Fluoro-silicone rubber chemicals and fluorine intermediates. and used for the production of fluorine silicon rubber.
1. | ihl-mus LC50:1691 g/m3/2H | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,116. |
Reported in EPA TSCA Inventory.
Slightly toxic by inhalation. When heated to decomposition it emits toxic vapors of F−.
Safety Information of 1,1,1-Trifluoropropene (677-21-4):
Hazard Codes: F
F: Highly Flammable
Risk Statements: 11
11: Highly Flammable
Safety Statements: 16-38
16: Keep away from sources of ignition - No smoking
38: In case of insufficient ventilation, wear suitable respiratory equipment
RIDADR: UN 1954 2.1
WGK Germany: 3
RTECS: UD2792000
Hazard Note: Flammable
TSCA: T
HazardClass: 2.1
First Aid Measures of 1,1,1-Trifluoropropene (677-21-4):
1.Ingestion: Seek medical assistance.
2.Inhalation: Move victim to fresh air. Apply artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult.
3.Skin: Remove and isolate contaminated clothing and shoes. Clothing frozen to the skin should be thawed before being removed. In case of contact with liquefied gas, thaw frosted parts with lukewarm water
4.Eyes: Flush with running water for at least 20 minutes
Hazards Identification of 1,1,1-Trifluoropropene (677-21-4):
1.Inhalation: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations.
2.Skin: Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite.
3.Eyes: May cause irritation.
4.Hazards: Vapors from liquefied gas are initially heavier than air and spread along ground. Vapors may travel to source of ignition and flash back. Containers may explode when heated.
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