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1,1,1-Trifluoroethane

  • Name 1,1,1-Trifluoroethane
  • EINECS206-996-5
  • CAS No. 420-46-2
  • Density1.078 g/cm3
  • PSA0.00000
  • LogP1.56860
  • SolubilityN/A
  • Melting Point-111 °C
  • FormulaC2H3F3
  • Boiling Point-47 °C
  • Molecular Weight84.041
  • Flash PointN/A
  • Transport InformationUN 2035
  • Appearancecolourless gas
  • Safety16-33
  • Risk Codes11
  • Molecular Structure
    Molecular Structure of 420-46-2 (11,1,1-Trifluoroethane)
  • Hazard SymbolsFlammableF
  • SynonymsFlammableF
  • Article Data98

1,1,1-Trifluoroethane Synthetic route

75-68-3

1-Chloro-1,1-difluoroethane

420-46-2

2,2,2-trifluoroethanol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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;
1717-00-6

HCFC-141b

420-46-2

2,2,2-trifluoroethanol

Conditions
ConditionsYield
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
ConditionsYield
With hydrogen fluoride; SbCl5 on Carbon at 100℃; under 760.051 Torr; for 0.00277778h;A 80%
B n/a
C n/a
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
mit UV-Licht.Irradiation;

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.

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