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Basic information

  • Name:
  • Ethane,1,1,1-trifluoro-

  • Superlist Name:
  • 1,1,1-Trifluoroethane
  • CAS No.:
  • 420-46-2

  • Molecular Structure:
  • Formula:
  • C2H3F3
  • Molecular Weight:
  • 84.05
  • Synonyms:
  • 1,1,1-Trifluoroform;CFC 143A;FC 143a;Freon 143a;HCF 143a;HCFC 143a;HFC 143a;Methylfluoroform;R 143a;TG 143a;
  • EINECS:
  • 206-996-5
  • Density:
  • 1.078 g/cm3
  • Melting Point:
  • -111 °C
  • Boiling Point:
  • -47 °C
  • Appearance:
  • colourless gas
  • Hazard Symbols:
  • FlammableF
  • Risk Codes:
  • 11
  • Safety Description:
  • 16-33 Details
  • Transport Information:
  • UN 2035

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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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