460-73-1

Basic information

• Product Name: 1,1,1,3,3-Pentafluoropropane
• Synonyms: HFC-245FA;Pentafluoropropane;1,1,1,3,3-PENTAFLUOROPROPANE;HCF-245FA;1,1,1,3,3-PENTAFLUOROPROPANE 97%;FC-245fa;1,1,3,3,3-Pentafluoropropane;Propane, 1,1,1,3,3-pentafluoro-
• CAS NO: 460-73-1
• Molecular Formula: C₃H₃F₅
• Molecular Weight: 134.05
• Product Categories: Industrial/Fine Chemicals;refrigerants
• Mol File: 460-73-1.mol
• Article Data: 62

Chemical Properties

• Melting Point: -102.1°C
• Boiling Point: 15,3°C
• Appearance: /
• Density: 1.32
• Vapor Pressure: 758mmHg at 25°C
• Refractive Index: 1.2803 (estimate)
• Stability: Stable.
• CAS DataBase Reference: 1,1,1,3,3-Pentafluoropropane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1,3,3-Pentafluoropropane(460-73-1)
• EPA Substance Registry System: 1,1,1,3,3-Pentafluoropropane(460-73-1)

Safety Data

• Statements: R12:Extremely flammable.
• Safety Statements: 3/7-9-23
• RIDADR: 3163
• HazardClass: 2.2
• Hazardous Substances Data: 460-73-1(Hazardous Substances Data)

Usage

Chemical Properties

colourless gas

Uses

HFC 245fa was developed as a replacement for the fully halogenated chlorofluorocarbons as a foam-blowing agent and refrigerant.

InChI:InChI=1/C3H2ClF5/c4-2(5,6)1-3(7,8)9/h1H2

Upstream product

• 690-27-7 2H-pentafluoropropene 
• 460-96-8 bis(trifluoromethyl)phosphine 
• 23153-23-3 1,1,1,3,3-pentachloropropane 
• 431-71-0 1,1,1,3,3-pentafluoro-2-propanone 
• 102687-65-0 trans-1-chloro-3,3,3-trifluoropropene 
• 29118-24-9 trans-1,3,3,3-tetrafluoropropene 
• 2816-43-5 triphenylgermane 
• 29118-25-0 (Z)-1,3,3,3-tetrafluoropropene 
• 21700-31-2 1,1,1,2,3-pentachloro-propane 
• 149329-29-3 1-chloro-1,3,3,3-tetrafluoropropane 
• 1645-83-6 1,3,3,3-tetrafluoro-propene 
• 2730-43-0 1-chloro-3,3,3-trifluoropropene 
• 1814-88-6 1,1,1,2,2-pentafluoropropane 
• 338-75-0 2,3-dichloro-1,1,1-trifluoropropane 

Downstream Products

• 85694-32-2 1-phenyl-4,4,4-trifluoro-1-butyn-3-one 
• 33730-49-3 PPh₂(CCCF₃) 
• 149329-29-3 1-chloro-1,3,3,3-tetrafluoropropane 
• 1645-83-6 1,3,3,3-tetrafluoro-propene 
• 2730-43-0 1-chloro-3,3,3-trifluoropropene 
• 29118-24-9 trans-1,3,3,3-tetrafluoropropene 
• 661-54-1 3,3,3-trifluoroprop-1-yne 
• 29118-25-0 (Z)-1,3,3,3-tetrafluoropropene 
• 1174032-32-6 C₁₉H₂₁F₃ 
• 1174032-31-5 (3,3,3‐trifluoropropane‐1,1‐diyl)dibenzene 
• 677-21-4 1,1,1-trifluoropropylene 
• 7664-39-3 hydrogen fluoride 
• 421-07-8 1,1,1-trifluoropropane 
• 430-63-7 1,1-difluoropropene 

Relevant articles and documents

Preparation method of Z-1-halogen-3, 3, 3-trifluoropropene

The invention discloses a preparation method of Z-1-halogen-3, 3, 3-trifluoropropene. The preparation method comprises the following steps: in the presence of a block catalyst, E-1-halogen-3, 3, 3-trifluoropropene is subjected to a gas phase isomerization reaction in a tubular reactor to obtain Z-1-halogen-3, 3, 3-trifluoropropene, and halogen is fluorine or chlorine. According to the preparation method, 1, 1, 1, 3, 3-pentachloropropane is used as an initial raw material, Z-1-chloro-3, 3, 3-trifluoropropene or Z-1, 3, 3, 3-tetrafluoropropene secondary product is prepared through a gas-phase fluorination reaction and an isomerization reaction, the materials which are not completely reacted are independently circulated through a gas-phase independent circulation process so that the initial raw materials can be almost completely converted into the target product, and finally, the target product is extracted from a process system, and thus liquid waste and waste gas are not generated, and green production is realized.

A structural, mechanistic, and kinetic study of the dehydrofluorination of 1,1,1,3,3-pentafluoropropane in the absence of catalyst

The catalyst-free dehydrofluorination of 1,1,1,3,3-pentafluoropropane (HFC-245fa) was investigated both experimentally and theoretically to elucidate the mechanism and kinetics of the reaction. The experimental results demonstrated easier generation of E-1,3,3,3-tetrafluoropropene (HFO-1234ze(E)) than HFO-1234ze(Z) under the same reaction conditions within a temperature range of 500–700 °C. When analyzing the geometry, energetics, and kinetic modeling of the reaction at the B3LYP/6?311++G (d,p) level of theory, it was found that the thermodynamic stability of HFO-1234ze(E) is relatively higher than its isomer (HFO-1234ze(Z). Besides, the rate constants of HFO-1234ze(E) were always larger than those of HFO-1234ze(Z) at 400–2000 K, which agreed well with the higher selectivity of HFO-1234ze(E) in the synthetic experiment results. Our theoretical demonstration provides a reference to investigate the mechanism and kinetics of other analogous reactions.

METHOD FOR CO-PRODUCING VARIOUS ALKENYL HALIDES AND HYDROFLUOROALKANES

Disclosed is a method for co-producing various alkenyl halides and hydrofluoroalkanes: cis-1-chloro-3,3,3-trifluoropropene is introduced into a first reactor to carry out an isomerization reaction in the presence of a first catalyst, and the reaction product is rectified to obtain a product trans-1-chloro-3,3,3-trifluoropropene; and 30-70 wt % of trans-1-chloro-3,3,3-trifluoropropene and hydrogen fluoride are mixed and then introduced into a second reactor to carry out a reaction in the presence of a second catalyst to obtain a second reactor reaction product; the second reactor reaction product is introduced into a phase separator for separation, and the obtained organic phase is rectified to obtain the products trans-1,3,3,3-tetrafluoropropene, cis-1,3,3,3-tetrafluoropropene and 1,1,1,3,3-pentafluoropropane. The invention has the advantages of simple process, high efficiency, high operation flexibility, less investment and low energy consumption.