1,1,1-Trifluoropropane

Base Information

• Chemical Name: 1,1,1-Trifluoropropane
• CAS No.: 421-07-8
• Molecular Formula: C3H5F3
• Molecular Weight: 98.0679
• Hs Code.: 2903399090
• European Community (EC) Number: 207-002-2
• DSSTox Substance ID: DTXSID80883378
• Nikkaji Number: J213.671F
• Wikidata: Q82862401
• Mol file: 421-07-8.mol

Synonyms:1,1,1-Trifluoropropane;421-07-8;Propane, 1,1,1-trifluoro-;Propane, trifluoro-;CH3CH2CF3;EINECS 207-002-2;94458-05-6;trifluoropropane;1,1,1-trifluoro-propane;1,1,1-Trifluoropropane #;1,1,1-tris(fluoranyl)propane;DTXSID80883378;C3-H5-F3;MFCD00069105;AKOS006228175;FT-0605953;A825765

Chemical Property of 1,1,1-Trifluoropropane

Chemical Property:

• Vapor Pressure: 2770mmHg at 25°C
• Melting Point: -148 °C
• Refractive Index: 1.276
• Boiling Point: -12 °C at 760 mmHg
• PSA: 0.00000
• Density: 1.038 g/cm³
• LogP: 1.95870
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.03433465
• Heavy Atom Count: 6
• Complexity: 35.8

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1-Trifluoropropane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 12
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(F)(F)F

Technology Process of 1,1,1-Trifluoropropane

There total 71 articles about 1,1,1-Trifluoropropane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

SbCl3 -SbCl5 + 1,1,1-trichloropropane (7789-89-1) → 1,1,1-trifluoropropane (421-07-8)

Guidance literature:

With HF;

Reference yield: 80.0%

1,1,1-trifluoropropylene (677-21-4) → 1,1,1-trifluoropropane (421-07-8)

Guidance literature:

With 2% active carbon-supported palladium; hydrogen; In methanol; at -20 - 0 ℃; Inert atmosphere; Autoclave;

Reference yield:

2,2,3-trichloro-1,1,1,3,3-pentafluoropropane (1599-41-3) → 1-chloro-1,1,3,3,3-pentafluoropropane (460-92-4) + 2H-pentafluoropropene (690-27-7) + 2-chloropentafluoropropene (2804-50-4) + methane (34557-54-5,27936-85-2) + ethane (74-84-0) + 1,1,1-trifluoropropane (421-07-8) + 1,1,1,3,3,3-hexafluoropropane (690-39-1) + 2-chloro-1,1,1,3,3,3-hexafluoropropane (431-87-8,134308-72-8) + 1,1,1,3,3-pentafluoro-2,3-dichloropropane (431-86-7) + 1,1,1,3,3-Pentafluoropropane (460-73-1) + 2-chloro-1,1,1,3,3-pentafluoropropane (28103-66-4)

Guidance literature:

With hydrogen; 0.5% Pd/C; at 100 - 275 ℃; for 0.00833333h; under 760.051 Torr; Product distribution / selectivity; Gas phase;

upstream raw materials:

ethene

iodotrifluoromethane

1-chloro-1,1-difluoro-propane

1-bromo-1,1-difluoro-propane

Downstream raw materials:

3-chloro-1,1,1-trifluoropropane

1,1,1-trifluoro-2-bromo-propane

3-bromo-1,1,1-trifluoropropane

2,2,2-trifluoro-1,1-ethanediol

Refernces

• 1、 Kurosawa, Shigeru,Sekiya, Akira,Arimura, Takashi,Yamada, Toshiro. "The monofluorination of hydrofluorocarbons over cobalt trifluoride". . p. 69 - 76. Retrieved 1993.
• 2、 Ahrens, Mike,Braun, Thomas,Kemnitz, Erhard,Kervarec, Ma?va-Charlotte. "Activation of pentafluoropropane isomers at a nanoscopic aluminum chlorofluoride: Hydrodefluorination versus dehydrofluorination". supporting information. p. 2623 - 2635. Retrieved 2020/11/26.