1,1,1-Trifluoroethane supplier

Name
11,1,1-Trifluoroethane
EINECS 206-996-5
CAS No. 420-46-2
Article Data98
CAS DataBase
Density 1.078 g/cm³
Solubility
Melting Point -111 °C
Formula C₂H₃F₃
Boiling Point -47 °C
Molecular Weight 84.041
Flash Point
Transport Information UN 2035
Appearance colourless gas
Safety 16-33
Risk Codes 11
Molecular Structure
Hazard Symbols F
Synonyms 1,1,1-Trifluoroform;CFC 143A;FC 143a;Freon 143a;HCF 143a;HCFC 143a;HFC 143a;Methylfluoroform;R 143a;TG 143a;
PSA 0.00000
LogP 1.56860

Synthetic route

: 75-68-3
1-Chloro-1,1-difluoroethane

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
at 200℃; for 2h; Conversion of starting material;	100%
With hydrogen fluoride; chlorine; antimonypentachloride at 15 - 20℃; under 6750.68 Torr;	97%
With hydrogen fluoride; chromium(III) water-soluble salt; graphite; magnesium oxide; water; mixture of, dried at 150 C, hydrofluorinated at 200-350 C at 200℃; under 7500.75 Torr; Continious process;
With neodymium(III) oxide; hydrogen fluoride; antimony pentafluoride at 10℃; under 2250.23 Torr; Reagent/catalyst; Large scale;

: 127-17-3
2-oxo-propionic acid

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With sulfur tetrafluoride at 20℃; for 12h; steel autoclave;	98%

: 374-07-2
1,1-dichlorotetrafluoroethane

A: 420-46-2
2,2,2-trifluoroethanol

B: 811-97-2
1,1,1,2-tetrafluoroethane

C: 2837-89-0
1,1,1,2-tetrafluoro-2-chloroethane

Conditions

Conditions	Yield
With hydrogen; palladium/alumina at 140℃; Product distribution; Mechanism; var. temp.; other catalysts;	A 5.5% B 84.3% C 10.2%
With hydrogen; palladium at 149.85℃; under 770 Torr; Rate constant; Product distribution; Thermodynamic data; E(a); other Pd catalysts; effect of HCl and sulfur;
With hydrogen; palladium/alumina at 199.85℃; for 15h; Product distribution; also fluorinated aluminas catalysts; other substrate;
With hydrogenchloride; hydrogen; 5percent Pd/C-H Kinetics; Activation energy; Further Variations:; Catalysts; Dehydrochlorination;

...Expand

: 1717-00-6
HCFC-141b

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
at 200℃; for 2h; Conversion of starting material;	82%

: 75-35-4
1,1-Dichloroethylene

A: 420-46-2
2,2,2-trifluoroethanol

B: 75-68-3
1-Chloro-1,1-difluoroethane

C: 1717-00-6
HCFC-141b

Conditions

Conditions	Yield
With hydrogen fluoride; SbCl5 on Carbon at 100℃; under 760.051 Torr; for 0.00277778h;	A 80% B n/a C n/a

...Expand

: 82750-12-7
(Z)-5,5,6,6-Tetrafluoro-4-hydroxy-hex-3-en-2-one

A: 721946-10-7
2,3,3,4,4-pentafluorobut-1-ene

B: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With sulfur tetrafluoride at 80℃; for 20h; Autoclave;	A 58% B 7%

: 75-37-6
1,1-difluoroethane

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With manganese(IV) oxide; hydrogen fluoride at 125℃;
With chromium(III) oxide; hydrogen fluoride at 50℃; unter Druck;
With hydrogen fluoride; lead dioxide at 125℃;

: 75-68-3
1-Chloro-1,1-difluoroethane

A: 420-46-2
2,2,2-trifluoroethanol

B: 2317-91-1
1-chloro-1-fluoroethane

Conditions

Conditions	Yield
With aluminum(III) fluoride at 325℃;
With aluminum(III) fluoride at 300 - 400℃;

: 71-55-6
1,1,1-trichloroethane

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With hydrogen fluoride at 210℃; under 268460 Torr;
With hydrogen fluoride; antimonypentachloride at 30 - 40℃; under 27949.3 Torr;
With aluminium fluoride oxide-cobalt halide; hydrogen fluoride at 290℃;

: 75-88-7
1,1,1-trifluoro-2-chloroethane

A: 420-46-2
2,2,2-trifluoroethanol

B: 407-59-0
1,1,1,4,4,4-hexafluorobutane

C: 384-54-3
1,1,1,4,4,4-hexafluoro-2,3-dichlorobutane

Conditions

Conditions	Yield
mit UV-Licht.Irradiation;

...Expand

: 75-38-7
Vinylidene fluoride

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With aluminum(III) fluoride; hydrogen fluoride

: 75-35-4
1,1-Dichloroethylene

A: 420-46-2
2,2,2-trifluoroethanol

B: 75-68-3
1-Chloro-1,1-difluoroethane

Conditions

Conditions	Yield
With hydrogen fluoride; diphenylamine at 180 - 195℃; unter Druck;

: 407-25-0
trifluoroacetic anhydride

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With dibutyl ether; platinum under 29420.3 - 36775.4 Torr; Hydrogenation;

: 64-19-7
acetic acid

A: 420-46-2
2,2,2-trifluoroethanol

B: 38217-11-7
α,α,α',α'-Tetrafluordiaethylaether

Conditions

Conditions	Yield
With sulfur tetrafluoride at -10℃; for 48h;

: 371-67-5
2,2,2-trifluorodiazoethane

: 110-83-8
cyclohexene

A: 66711-86-2
trans-1,1,1,4,4,4-hexafluoro-2-butene

B: 420-46-2
2,2,2-trifluoroethanol

C: 2355-93-3
7-Trifluormethyl-norcaran

D: 359-11-5
1,1,2-trifluoroethylene

Conditions

Conditions	Yield
for 168h; Irradiation;

...Expand

: 93-58-3
benzoic acid methyl ester

: 54128-17-5
trifluoromethanide

A: 420-46-2
2,2,2-trifluoroethanol

B: 766-76-7
benzoate

Conditions

Conditions	Yield
In gas Thermodynamic data; ΔH0, nucleophilic reactions of F3C- at sp2 and sp3 carbon in the gas phase, competitive reactions;

...Expand

: 71-55-6
1,1,1-trichloroethane

A: 420-46-2
2,2,2-trifluoroethanol

B: 75-68-3
1-Chloro-1,1-difluoroethane

C: 1717-00-6
HCFC-141b

D: 75-35-4
1,1-Dichloroethylene

Conditions

Conditions	Yield
With fluorinated (with SF4) γ-alumina; hydrogen fluoride for 2h; Product distribution; Ambient temperature;
With hydrogen fluoride; antimonypentachloride at 60℃; under 7500.6 Torr; Mechanism; var. reaction partners and temp.;
With chromium(III) oxide; sulfur tetrafluoride; hydrogen fluoride at 20℃; for 2h; Product distribution; Further Variations:; Reagents;

...Expand

: 374-07-2
1,1-dichlorotetrafluoroethane

: 76-14-2
1,2-dichloro-1,1,2,2-tetrafluoroethane

A: 420-46-2
2,2,2-trifluoroethanol

B: 811-97-2
1,1,1,2-tetrafluoroethane

C: 359-35-3
1,1,2,2-tetrafluoroethane

D: 354-25-6
2-chloro-1,1,2,2-tetrafluoroethane

E: 2837-89-0
1,1,1,2-tetrafluoro-2-chloroethane

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal at 240℃; for 0.00611111h; Product distribution; Mechanism; other times, other temperatures;

...Expand

: 431-47-0
trifluoroacetic acid-methyl ester

: 54128-17-5
trifluoromethanide

A: 420-46-2
2,2,2-trifluoroethanol

B: 14477-72-6
trifluoroacetate

Conditions

Conditions	Yield
In gas Rate constant; Thermodynamic data; ΔH0, nucleophilic reactions of F3C- at sp2 and sp3 carbon in the gas phase, competitive reactions;

...Expand

: 433-06-7
2,2,2-Trifluoroethyl p-toluenesulfonate

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride

: 115464-59-0
methyltrifluoromethyldioxirane

A: 420-46-2
2,2,2-trifluoroethanol

B: 79-20-9
acetic acid methyl ester

C: 431-47-0
trifluoroacetic acid-methyl ester

D: 124-38-9
carbon dioxide

E: 74123-20-9
trifluoromethyl acetate

F: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
In tetrachloromethane; chloroform-d1 at 20℃; for 0.166667h; Product distribution; Mechanism; Irradiation; thermal and photochemical dicomposition in gas, solution, and matrix phases;	A 1 % Spectr. B 14 % Spectr. C 18 % Spectr. D n/a E 53 % Spectr. F 14 % Spectr.

...Expand

: 359-11-5
1,1,2-trifluoroethylene

A: 420-46-2
2,2,2-trifluoroethanol

B: 430-66-0
1,1,2-Trifluoroethan

C: 407-59-0
1,1,1,4,4,4-hexafluorobutane

D: 114810-02-5
1,2,2,3,3,4-hexafluoro-butane

E: 1,1,1,3,4,4-Hexafluoro-butane

F: 1,1,1,3,3,4-Hexafluoro-butane

Conditions

Conditions	Yield
With hydrogen; mercury under 100 - 750 Torr; Product distribution; Ambient temperature; Irradiation; different H2 pressure;

...Expand

: 359-11-5
1,1,2-trifluoroethylene

A: 420-46-2
2,2,2-trifluoroethanol

B: 407-59-0
1,1,1,4,4,4-hexafluorobutane

C: 114810-02-5
1,2,2,3,3,4-hexafluoro-butane

D: 1,1,1,3,4,4-Hexafluoro-butane

E: 1,1,1,3,3,4-Hexafluoro-butane

F: 1,1,2,3,3,4-hexafluorobutane

Conditions

Conditions	Yield
With hydrogen; mercury under 100 - 750 Torr; Product distribution; Ambient temperature; Irradiation; different H2 pressure;

...Expand

: 463-82-1
2,2-dimethylpropane

: 684-16-2
Hexafluoroacetone

A: 34557-54-5
methane

B: 74-84-0
ethane

C: 74-98-6
propane

D: 74-85-1
ethene

E: 75-46-7
trifluoromethan

F: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
at 300℃; for 2h; Product distribution; Mechanism; Irradiation; other temperature, UV lamp, reaction time, in packed and unpacked vessel;

...Expand

: 684-16-2
Hexafluoroacetone

: 67-64-1
acetone

A: 74-84-0
ethane

B: 420-46-2
2,2,2-trifluoroethanol

C: 76-16-4
Hexafluoroethane

Conditions

Conditions	Yield
In ethyl acetate for 0.5h; Product distribution; Irradiation; further temperature;

...Expand

: 54128-17-5
trifluoromethanide

: 616-38-6
carbonic acid dimethyl ester

A: 420-46-2
2,2,2-trifluoroethanol

B: 49745-25-7
methyl carbonate

Conditions

Conditions	Yield
In gas nucleophilic reactions of F3C- at sp2 and sp3 carbon in the gas phase, competitive reactions;

...Expand

: 1514-87-0
metyhyl chlorodifluoroacetate

: 74-88-4
methyl iodide

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With potassium fluoride; copper(l) iodide; cadmium(II) iodide In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; for 8h;	81 % Turnov.

: 683-98-7
methyl bromodifluoroacetate

: 74-88-4
methyl iodide

: 420-46-2
2,2,2-trifluoroethanol

Conditions

Conditions	Yield
With potassium fluoride; copper(l) iodide; cadmium(II) iodide In N,N,N,N,N,N-hexamethylphosphoric triamide at 90℃; for 8h;	75 % Turnov.

: 71-55-6
1,1,1-trichloroethane

A: 420-46-2
2,2,2-trifluoroethanol

B: 75-68-3
1-Chloro-1,1-difluoroethane

C: 1717-00-6
HCFC-141b

D: 75-38-7
Vinylidene fluoride

Conditions

Conditions	Yield
With fluorinated Fe3O4 for 2h; Ambient temperature; Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 75-35-4
1,1-Dichloroethylene

A: 354-58-5
1,1,1-Trichloro-2,2,2-trifluoroethane

B: 420-46-2
2,2,2-trifluoroethanol

C: 75-68-3
1-Chloro-1,1-difluoroethane

D: 1717-00-6
HCFC-141b

Conditions

Conditions	Yield
With fluorinated Co3O4 for 2h; Ambient temperature; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 420-46-2
2,2,2-trifluoroethanol

: 4C66H51N15O12*4O4P(3-)*12K(1+)*12C12H24O6*C2H3N

: 4C66H51N15O12*4O4P(3-)*12K(1+)*12C12H24O6*C2H3F3

Conditions

Conditions	Yield
In water at 20℃;	90%

: 116-14-3
polytetrafluoroethylene

: 420-46-2
2,2,2-trifluoroethanol

: 662-00-0
1,1,1,2,2,3,3-heptafluorobutane

Conditions

Conditions	Yield
With antimony pentafluoride at 50℃; for 16h;	89%

: 116-15-4
perfluoropropylene

: 420-46-2
2,2,2-trifluoroethanol

: 58705-99-0
1,1,1,2,3,3,5,5,5-Nonafluoropentan

Conditions

Conditions	Yield
at 310℃; for 144h;	71%

: 420-46-2
2,2,2-trifluoroethanol

: 359-11-5
1,1,2-trifluoroethylene

A: 76523-97-2
1,1,1,2,3,3-hexafluorobutane

B: 1,1,1,3,4,4-Hexafluoro-butane

C: 1,1,1,3,3,4-Hexafluoro-butane

Conditions

Conditions	Yield
With antimony pentafluoride at 20℃; for 8h; Title compound not separated from byproducts;	A 70% B 1% C 2%

...Expand

: 420-46-2
2,2,2-trifluoroethanol

: 17356-08-0
thiourea

: 69412-76-6
3,3,3-trifluoro-propane-1-thiol

Conditions

Conditions	Yield
Stage #1: 2,2,2-trifluoroethanol; thiourea In ethanol; water at 90℃; for 5h; Stage #2: With water; sodium hydroxide for 3h; pH=12 - Ca. 13; Reflux;	65%

: 420-46-2
2,2,2-trifluoroethanol

: 2350-89-2
p-vinylbiphenyl

: C16H14F3N3

Conditions

Conditions	Yield
With copper(l) iodide; tetrabutylammoniun azide; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In acetonitrile at 20℃; Irradiation;	65%

: 482314-33-0
cis-[Ru(PMe3)4(H)(NH2)]

: 420-46-2
2,2,2-trifluoroethanol

: 482314-43-2
cis-[Ru(PMe3)4(H)(NH3)]F

Conditions

Conditions	Yield
In benzene mixt. was stirred at room temp. for 48 h in closed vessel; soln. was evapd. to dryness, residue was dissolved in THF, layered with pentane, cooled to -35°C over 24 h; elem. anal.;	59%

: 420-46-2
2,2,2-trifluoroethanol

: 75-38-7
Vinylidene fluoride

: 1,1,1,5,5,5-Hexafluoro-3-methyl-3-(2,2,2-trifluoro-ethyl)-pentane

Conditions

Conditions	Yield
With antimony pentafluoride at 20℃; for 8h;	45%

: 420-46-2
2,2,2-trifluoroethanol

: 598-88-9
1,2-dichloro-1,2-difluoroethene

: 1,2-Dichloro-1,1,2,3,3-pentafluoro-butane

Conditions

Conditions	Yield
With antimony pentafluoride for 8h;	16%

: 420-46-2
2,2,2-trifluoroethanol

: 421-06-7
2-bromo-1,1,1-trifluoroethane

Conditions

Conditions	Yield
With bromine at 500℃;

: 420-46-2
2,2,2-trifluoroethanol

: 75-88-7
1,1,1-trifluoro-2-chloroethane

Conditions

Conditions	Yield
With chlorine at 500℃;

: 420-46-2
2,2,2-trifluoroethanol

A: 75-38-7
Vinylidene fluoride

B: 374-12-9
1,1,2,2-tetrafluorocyclobutane

Conditions

Conditions	Yield
at 750 - 910℃;

: 420-46-2
2,2,2-trifluoroethanol

: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

Conditions

Conditions	Yield
With chlorine at 497℃;

: 420-46-2
2,2,2-trifluoroethanol

: 354-30-3
2,2-dibromo-1,1,1-trifluoro-ethane

Conditions

Conditions	Yield
With bromine at 500℃;

: 420-46-2
2,2,2-trifluoroethanol

: 354-48-3
1,1,1-tribromotrifluoroethane

Conditions

Conditions	Yield
With bromine at 600℃;

: 420-46-2
2,2,2-trifluoroethanol

: 374-12-9
1,1,2,2-tetrafluorocyclobutane

Conditions

Conditions	Yield
at 820℃;

1,1,1-Trifluoroethane Specification

The 1,1,1-Trifluoroethane, with the CAS registry number 420-46-2, is also known as Freon 143a. It belongs to the product categories of Refrigerants; Refrigerant. Its EINECS registry number is 206-996-5. This chemical's molecular formula is C₂H₃F₃ and molecular weight is 84.04. What's more, its IUPAC name is same with its product name. It is a fluorocarbon compound that is a clear, colorless gas. It should not be confused with the isomeric compound 1,1,2-trifluoroethane. Unlike CFCs used as refrigerants, it has no chlorine atoms and is therefore not an ozone-depleting chemical, though its high chemical stability and infra-red absorbency make it a potent greenhouse gas.

Physical properties about 1,1,1-Trifluoroethane are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.53; (6)ACD/BCF (pH 7.4): 2.53; (7)ACD/KOC (pH 5.5): 67.67; (8)ACD/KOC (pH 7.4): 67.67; (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: 1.238; (14)Molar Refractivity: 11.77 cm³; (15)Molar Volume: 77.9 cm³; (16)Surface Tension: 9 dyne/cm; (17)Density: 1.078 g/cm³; (18)Enthalpy of Vaporization: 20.05 kJ/mol at 760 mmHg; (19)Vapour Pressure: 8450 mmHg at 25 °C.

Preparation of 1,1,1-Trifluoroethane: this chemical can be prepared by 2-Oxo-propionic acid. This reaction needs reagent SF₄ at temperature of 20 °C. The reaction time is 12 hours. The yield is 98 %.

1,1,1-Trifluoroethane can be prepared by 2-Oxo-propionic acid.

Uses of 1,1,1-Trifluoroethane: (1) it is used as a refrigerant and propellant; (2) it is used to produce other chemicals. For example, it is used to produce 1,1,1,2,3,3,5,5,5-Nonafluoropentan. The reaction occurs 6 days at temperature of 310 °C. The yield is 71 %.

1,1,1-Trifluoroethane is used to produce 1,1,1,2,3,3,5,5,5-Nonafluoropentan.

When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. So you should keep away from sources of ignition and take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C
(2) InChI: InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
(3) InChIKey: UJPMYEOUBPIPHQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	> 54pph/4H (540000ppm)		Fundamental and Applied Toxicology. Vol. 31, Pg. 200, 1996.

Product Name

11,1,1-Trifluoroethane

Synthetic route

1,1,1-Trifluoroethane Specification

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