1,1,1,2,3,3,3-Heptafluoropropane

Base Information

• Chemical Name: 1,1,1,2,3,3,3-Heptafluoropropane
• CAS No.: 431-89-0
• Molecular Formula: C3HF7
• Molecular Weight: 170.03
• Hs Code.: 2903399090
• European Community (EC) Number: 207-079-2
• UNII: R40P36GDK6
• DSSTox Substance ID: DTXSID4042048
• Nikkaji Number: J28.278B
• Wikipedia: 1,1,1,2,3,3,3-Heptafluoropropane
• Wikidata: Q2683759,Q82933323
• NCI Thesaurus Code: C77454
• RXCUI: 1368129
• ChEMBL ID: CHEMBL2104472
• Mol file: 431-89-0.mol

Synonyms:1,1,1,2,3,3,3-heptafluoropropane;2-hydroheptafluoropropane;2H-heptafluoropropane;apaflurane;HFA 227;HFA-227;hydrofluoroalkane

Chemical Property of 1,1,1,2,3,3,3-Heptafluoropropane

Chemical Property:

• Appearance/Colour: colourless gas
• Vapor Pressure: 3400mmHg at 25°C
• Melting Point: -131ºC
• Refractive Index: 1.229
• Boiling Point: -16.4 °C
• PSA: 0.00000
• Density: 1.457 g/cm³
• LogP: 2.44910
• Solubility.: Soluble 1 in 1725 parts of water at 20°C.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 169.99664717
• Heavy Atom Count: 10
• Complexity: 93

Purity/Quality:

99.9% ^*data from raw suppliers

2H-Heptafluoropropane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-38

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)F
• Uses: HFC 227ea is being developed as a CFC replacement in refrigerants, high temperature heat pumps, air-conditioning systems; as a fire suppressant; and for pharmaceutical aerosols and metered-dose inhalers.

Technology Process of 1,1,1,2,3,3,3-Heptafluoropropane

There total 65 articles about 1,1,1,2,3,3,3-Heptafluoropropane 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: 70.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 1,1,1,2,3,3,3-Heptafluoropropane (431-89-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 130 ℃;

DOI:10.1139/v04-111

Reference yield: 64.0%

perfluoroisopropyl iodide (677-69-0) → 1,1,1,2,3,3,3-Heptafluoropropane (431-89-0)

Guidance literature:

With dibromodifluoromethane; triphenylphosphine; zinc; In N,N-dimethyl-formamide;

DOI:10.1139/v04-111

Reference yield: 47.0%

1,2-dichloro-1,2,2-trifluoro-1-iodoethane (354-61-0) + perfluoroisopropyl iodide (677-69-0) → 1,1,1,2,3,3,3-Heptafluoropropane (431-89-0) + Chlorotrifluoroethylene (79-38-9,9036-80-0) + perfluoro(2,3-dimethylbutane) (354-96-1) + perfluoro-1,2,3,4-tetrachlorobutane (375-45-1)

Guidance literature:

With acetic anhydride; zinc; In dichloromethane; at 40 ℃;

DOI:10.1135/cccc20081719

upstream raw materials:

perfluoropropylene

perfluoro-1-methyl-4-isopropylcyclohexane

toluene

butyric acid

Downstream raw materials:

heptafluoro-isobutyric acid

carbon tetrafluoride

freon-218

Hexafluoroethane

Refernces

• 1、 Martini,Schumann. "". . p. 535,536, 538, 539. Retrieved 1976.
• 2、 Bhadury, Pinaki S.,Singh, Sapna,Sharma, Mamta,Malhotra, Ramesh C.,Sekhar, Krishnamurthy. "Fluorine chemistry. Part 2. Synthesis and characterization of 2H-heptafluoropropane (HFC-227ea)". . p. 1381 - 1385. Retrieved 2004.
• 3、 Wang, Yi,Sun, Mengting,Gao, Zhanyang,Zou, Lilin,Zhong, Lingyu,Peng, Ruichao,Yu, Ping,Luo, Yunbai. "A novel and efficient synthetic route to perfluoroisobutyronitrile from perfluoroisobutyryl acid". . p. 37159 - 37164. Retrieved 2018/11/26.
• 4、 Duncan, Juliana R.,Roach, Michael S.,Stiles, Brooke Sibila,Holmes, Bert E.. "Unimolecular rate constant and threshold energy for the HF elimination from chemically activated CF3CHFCF3". experimental part. p. 6996 - 7002. Retrieved 2011/02/16.