431-89-0

Basic information

• Product Name: 1,1,1,2,3,3,3-Heptafluoropropane
• Synonyms: HEPTAFLUOROPROPANE;hfc-227ea;1,1,1,2,3,3,3-HEPTAFLUOROPROPANE;2H-HEPTAFLUOROPROPANE;1,1,1,2,3,3,3-heptafluoro-propan;2H-perfluoropropane;2-hydroheptafluoropropane;2-hydroperfluoropropane
• CAS NO: 431-89-0
• Molecular Formula: C₃HF₇
• Molecular Weight: 170.03
• EINECS: 207-079-2
• Product Categories: refrigerants;Refrigerant
• Mol File: 431-89-0.mol

Chemical Properties

• Melting Point: -126.8°C
• Boiling Point: -16.4°C
• Appearance: colourless gas
• Density: 1,409 g/cm3
• Vapor Pressure: 3400mmHg at 25°C
• Refractive Index: 1.2747 (estimate)
• Solubility: Soluble 1 in 1725 parts of water at 20°C.
• Stability: Stable. Incompatible with strong oxidizing agents, alkali metals
• CAS DataBase Reference: 1,1,1,2,3,3,3-Heptafluoropropane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1,2,3,3,3-Heptafluoropropane(431-89-0)
• EPA Substance Registry System: 1,1,1,2,3,3,3-Heptafluoropropane(431-89-0)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 23-38
• RIDADR: 3296
• HazardClass: 2.2
• Hazardous Substances Data: 431-89-0(Hazardous Substances Data)

Usage

Uses

Used in Refrigeration and Air Conditioning Industry:
1,1,1,2,3,3,3-Heptafluoropropane is used as a CFC replacement in refrigerants, high-temperature heat pumps, and air-conditioning systems due to its environmentally friendly properties and efficient performance.
Used in Fire Suppression:
1,1,1,2,3,3,3-Heptafluoropropane is used as a fire suppressant because of its non-flammable nature and ability to effectively extinguish fires without causing damage to equipment or the environment.
Used in Pharmaceutical Industry:
1,1,1,2,3,3,3-Heptafluoropropane is used in pharmaceutical aerosols and metered-dose inhalers as a propellant, providing a safe and effective means of delivering medications in the form of inhalable aerosols.

Flammability and Explosibility

Nonflammable

Pharmaceutical Applications

Heptafluoropropane is classified as a hydrofluorocarbon (HFC) aerosol propellant since the molecule consists only of carbon, fluorine, and hydrogen atoms. It does not contain any chlorine and consequently does not affect the ozone layer, nor does it have an effect upon global warming. It is therefore considered as an alternative propellant to CFCs for metered-dose inhalers (MDIs). While some of its physical and chemical properties are known, little has been published in regard to its use as a replacement for CFCs in MDIs. The vapor pressure of heptafluoropropane is somewhat lower than that of tetrafluoroethane and dichlorodifluoromethane but considerably higher than the vapor pressure used to formulate most MDIs. When heptafluoropropane is used for pharmaceutical aerosols and MDIs, the pharmaceutical grade must be specified. Industrial grades may not be suitable due to their impurity profile. Similarly to tetrafluoroethane, heptafluoropropane is not a good solvent for medicinal agents or for the commonly used surfactants and dispersing agents used in the formulation of MDIs. There are several MDIs formulated with this propellant worldwide that contain a steroid as the active ingredient.

Safety

Heptafluoropropane is used as a fire extinguisher and is applicable as a non-CFC propellant in various metered-dose inhalers. Heptafluoropropane is regarded as nontoxic and nonirritating when used as directed. No acute or chronic hazard is present when it is used normally. Inhaling high concentrations of heptafluoropropane vapors can be harmful and is similar to inhaling vapors of other propellants. Deliberate inhalation of vapors of heptafluoropropane can be dangerous and may cause death. The same labeling required of CFC aerosols would be required for those containing heptafluoropropane as a propellant (except for the EPA requirement).

storage

Heptafluoropropane is a nonreactive and stable material. The liquefied gas is stable when used as a propellant and should be stored in a metal cylinder in a cool, dry place.

InChI:InChI=1/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H

Upstream product

• 107-92-6 butyric acid 
• 3852-09-3 methyl 3-methoxypropionate 
• 116-15-4 perfluoropropylene 
• 67-66-3 chloroform 
• 75-69-4 trichlorofluoromethane 
• 1423-18-3 bis(perfluoroisopropyl)sulfurdifluoride 
• 58734-88-6 bis(trifluoromethyl)hexafluoroisopropylphosphine 
• 756-13-8 perfluoro-2-methylpentan-3-one 
• 839-54-3 3,6-bis-(1,2,2,2-tetrafluoro-ethyl)-1,2⁽⁴⁾-dihydro-[1,2,4,5]tetrazine 
• 73424-22-3 bis(heptafluoroisopropyl)iodophosphine 
• 68698-97-5 heptafluoroisopropyldiiodophosphine 
• 813-44-5 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one 
• 677-69-0 perfluoroisopropyl iodide 
• 431-59-4 1,3-dichloro-1,2,3,3-tetrafluoro-propene 

Downstream Products

• 335-10-4 heptafluoro-isobutyric acid 
• 75-73-0 carbon tetrafluoride 
• 76-19-7 freon-218 
• 76-16-4 Hexafluoroethane 
• 353-50-4 Carbonyl fluoride 
• 2670-13-5 difluoromethyl 
• 74-85-1 ethene 
• 3248-60-0 perfluoroisopropyl radical 
• 76-18-6 2-Chloro-F-propane 
• 690-27-7 2H-pentafluoropropene 
• 116-14-3 polytetrafluoroethylene 
• 431-63-0 1,1,1,2,3,3-hexafluoropropane 
• 359-11-5 1,1,2-trifluoroethylene 
• 116-15-4 perfluoropropylene 

Relevant articles and documents

Absolute rates of intermolecular carbon-hydrogen abstraction reactions by fluorinated radicals

Using competition kinetic methodology, absolute rate constants for bimolecular hydrogen abstraction from a variety of organic substrates in solution have been obtained for the n-C4H9CF2CF2(·), n-C4F9(·), and i-C3F7(·) radicals. Fluorine substitution substantially increases the reactivity of alkyl radicals with respect to C-H abstraction, with the secondary radical being most reactive. A wide range of substrate reactivities (5200-fold) was observed, with the results being discussed in terms of an interplay of thermodynamic, polar, steric, stereoelectronic, and electrostatic/field effects on the various C-H abstraction transition states. Representative carbon-hydrogen bond dissociation energies of a number of ethers and alcohols have been calculated using DFT methodology.

Fluorine chemistry. Part 2. Synthesis and characterization of 2H-heptafluoropropane (HFC-227ea)

A facile method has been developed for the synthesis and characterization of volatile 1,1,1,2,3,3,3-heptafluoropropane (HFC-227ea), a potential non-ozone depleting hydrofluorocarbon substitute for Halon 1301 (CF3Br). The method involves hydrofluorination of hexafluoropropene using in situ generated onium bifluoride obtained from the decomposition of anhydrous tetrabutylammonium fluoride. The reagent acts as an excellent equivalent to hydrogen fluoride and permits the use of normal glassware.

Unusual conversion of perfluoromethylepoxycyclopentane into a linear β-aminovinylketone by C-C bond cleavage

2,3,3,4,4,5,5-Heptafluoro-1-trifluoromethyl-1,2-epoxycyclopentane reacted with 2-isopropyl-acetophenone imine giving 2,3,3,4,4,5,5-heptafluoro-2-trifluoromethyl-1-(2′-isopropylimino- 2′-phenylethane) cyclopentan-1-ol, which in its turn underwent an intramolecular rearrangement yielding the linear 4,4,5,5,6,6,7,8,8,8-decafluoro-1-isopropylamino-oct-1-en-3-one, being characterized by X-ray structural analysis (triclinic, P-1, a = 920.5(2), b = 1027.9(3), c = 1127.4(3)pm, α = 110.99, β = 105.68°, γ = 96.75°).

A novel and efficient synthetic route to perfluoroisobutyronitrile from perfluoroisobutyryl acid

A novel synthetic route to perfluoroisobutyronitrile from perfluoroisobutyryl acid which has mild conditions and low toxicity is described. This study introduces detailed synthetic protocols and characterization including GC-MS, 13C NMR and 19F NMR spectroscopy of perfluoroisobutyryl acid, perfluoroisobutyryl chloride, perfluoroisobutyl amide and perfluoroisobutyronitrile. Besides, this route is superior to the established patent and shows potential application in high voltage electrical equipment.

METHOD AND APPARATUS FOR CONTINUOUSLY PRODUCING 1,1,1,2,3-PENTAFLUOROPROPANE WITH HIGH YIELD

A method and apparatus for method of continuously producing 1,1,1,2,3-pentafluoropropane with high yield is provided. The method includes (a) bringing a CoF3-containing cobalt fluoride in a reactor into contact with 3,3,3-trifluoropropene to produce a CoF2-containing cobalt fluoride and 1,1,1,2,3-pentafluoropropane, (b) transferring the CoF2-containing cobalt fluoride in the reactor to a regenerator and bringing the transferred CoF2-containing cobalt fluoride into contact with fluorine gas to regenerate a CoF3-containing cobalt fluoride, and (c) transferring the CoF3-containing cobalt fluoride in the regenerator to the reactor and employing the transferred CoF3-containing cobalt fluoride in Operation (a). Accordingly, the 1,1,1,2,3-pentafluoropropane can be continuously produced with high yield from the 3,3,3-trifluoropropene using a cobalt fluoride (CoF2/CoF3) as a fluid catalyst, thereby improving the reaction stability and readily adjusting the optimum conversion rate and selectivity.

Unimolecular rate constant and threshold energy for the HF elimination from chemically activated CF3CHFCF3

Combination of CF3CHF and CF3 radicals at room temperature generated chemically activated CF3CHFCF3 molecules with 95 ± 3 kcal/mol of internal energy that decompose by loss of HF, initially attached to adjacent carbons, with an experimental unimolecular rate constant of (4.5 ± 1.1) x 102 s-1. Density functional theory was used to model the unimolecular rate constant for HF elimination, kHF, to determine a threshold energy of 75 ± 2 kcal/mol.

PROCESS FOR THE SYNTHESIS AND SEPARATION OF HYDROFLUOROOLEFINS

A process for the synthesis of fluorinated olefins of the formula CF3CF=CHX, wherein X is F or H comprising contacting hexafluoropropene with hydrogen chloride in the vapor phase, in the presence of a catalyst, at a temperature in the range from about 200 °C to about 350 °C, wherein the mole ratio of hydrogen chloride to hexafluoropropene is from about 2:1 to about 4:1, separating the 1-chloro-1,2,3,3,3-pentafluoro-1-propene, 1,1-dichloro-2,3,3,3-tetrafluoro-1-propene and hydrogen fluoride products from unreacted hexafluoropropene, and hydrogen chloride by distillation, hydrogenating either the 1-chloro-1,2,3,3,3-pentafluoro-1-propene, 1,1-dichloro-2,3,3,3-tetrafluoro-1-propene or mixture thereof over a catalyst, and dehydrochlorinating the said hydrogenation product to produce either 1225ye or 1234yf.

Coupling reactions of chlorofluoro and perfluoroalkyl iodides

Coupling reactions of chlorofluoro- and perfluoroalkyl iodides R f-I with Rf = ClCF2CFCl-(CF2) 3CF2-, ClCF2CFClO(CF2) 3CF2-, ClCF2CFCl-, (CF3) 2CF- , (CF3)2CFCF2CF2- in the presence of a zinc/solvent system give dimers in good yields. Both homodimerizations (one iodide) and heterodimerizations (two different iodides) have been studied. The effect of temperature and solvent is shown. The zinc mediated dechlorination of vicinal chlorine atoms in the dimers afforded terminal alkenes and dienes.

Reactions of poly(hexafluoropropylene oxide) perfluoroisopropyl ketone with various amines

The reaction of poly(hexafluoropropylene oxide) perfluoroisopropyl ketone, perfluoroethyl perfluoroisopropyl, or bis-perfluoroisopropyl ketone with various amines has been studied and the products identified. A comparison of the reactivity of the ketones with different amines is made and identified by mass spectroscopy. The reaction of diethyl amine with all three ketones leads to two unexpected products and the mechanism of their formation is considered.

SELECTIVELY REACTING OLEFINS HAVING A TERMINAL CF2 GROUP IN A MIXTURE

A process is disclosed for reducing the mole ratio of (1) compounds of the formula Y1Y2C=CF2 wherein Y1 and Y2 are each independently H, F, CI, Br, C1-C6 alkyl or C1-C6 haloalkyl containing no more than 3 chlorine substituents, 2 bromine substituents and 1 iodo substituent to (2) saturated compounds of the formula CdHeFfCIgBrhIk wherein d is an integer from 1 to 10, and e+f+g+h+k is equal to 2d+2, provided that g is 0, 1, 2 or 3, h is 0, 1 or 2 and k is 0 or 1 and/or unsaturated compounds of the formula Y3Y4C=CY5Y6, wherein Y3, Y5 and Y6 are each independently H, F, CI Br, C1-C6 alkyl or C1-C6 haloalkyl containing no more than 3 chlorine substituents, 2 bromine substituents and 1 iodo substituent, provided that Y5 and Y6 are not both F, and Y4 is C1-C6 alkyl or C1-C6 haloalkyl containing no more than 3 chlorine substituents, 2 bromine substituents and 1 iodo substituent, in a mixture. The process involves contacting the mixture with at least one selective removal agent selected from the group consisting of SO3 and RSO3H, wherein R is selected from the group consisting of F, CI, OH, C1-C8 alkyl, C1-C8 fluoroalkyl, and C1-C8 fluoroalkoxyalkyl containing no more than two ether oxygens to selectively react the formula Y1Y2C=CF2 compounds.