1,2,3-Trichloropentafluoropropane

Base Information

• Chemical Name: 1,2,3-Trichloropentafluoropropane
• CAS No.: 76-17-5
• Molecular Formula: C3Cl3 F5
• Molecular Weight: 237.384
• European Community (EC) Number: 616-299-1
• DSSTox Substance ID: DTXSID8058794
• Nikkaji Number: J99.854K
• Wikidata: Q81988520
• ChEMBL ID: CHEMBL454245
• Mol file: 76-17-5.mol

Synonyms:1,2,3-Trichloropentafluoropropane;76-17-5;1,2,3-Trichloro-1,1,2,3,3-pentafluoropropane;Propane, 1,2,3-trichloro-1,1,2,3,3-pentafluoro-;Propane, 1,2,3-trichloropentafluoro-;1,2,3-trichloro-1,1,2,3,3-pentafluoro-propane;C3Cl3F5;CHEMBL454245;SCHEMBL1222657;DTXSID8058794;MFCD00069131;AKOS025117168;FT-0605974;1,1,2,3,3-Pentafluoro-1,2,3-trichloro propane;1,1,2,3,3-Pentafluoro-1,2,3-trichloropropane;A838627;1,2,3-Trichloro-1,1,2,3,3-pentafluoropropane #;1,2,3-tris(chloranyl)-1,1,2,3,3-pentakis(fluoranyl)propane

Chemical Property of 1,2,3-Trichloropentafluoropropane

Chemical Property:

• Vapor Pressure: 118mmHg at 25°C
• Melting Point: -72°C
• Refractive Index: 1.351
• Boiling Point: 74°C
• Flash Point: 4.6°C
• PSA: 0.00000
• Density: 1.663
• LogP: 3.55420
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 235.898574
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

1,2,3-Trichloropentafluoropropane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)Cl)(C(F)(F)Cl)(F)Cl

Technology Process of 1,2,3-Trichloropentafluoropropane

There total 4 articles about 1,2,3-Trichloropentafluoropropane 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:

prop-1-yne (74-99-7) → 2,2-dichloro-1,1,1,3,3,3-hexafluoro-propane (1652-80-8) + 1,2,3-trichloro-1,1,2,3,3-pentafluoropropane (76-17-5) + 1,2-dichlorohexafluoropropane (661-97-2) + 1,1,3-trichloro-1,2,2,3,3-pentafluoropropane (1652-81-9,79070-11-4)

Guidance literature:

With hydrogen fluoride; chlorine; CrO₃/C; at 235 - 435 ℃;

DOI:10.1016/j.jfluchem.2007.01.010

Reference yield:

1,1,1,2-tetrachloro-2,3,3,3-tetrafluoropropane (3175-64-2) → 2,2-dichloro-1,1,1,3,3,3-hexafluoro-propane (1652-80-8) + 2,2,3-trichloro-1,1,1,3,3-pentafluoropropane (1599-41-3) + 1,2,3-trichloro-1,1,2,3,3-pentafluoropropane (76-17-5) + 1,2-dichlorohexafluoropropane (661-97-2) + 1,1,2-trichloro-1,2,3,3,3-pentafluoropropane (812-30-6)

Guidance literature:

With hydrogen fluoride; chlorine; iron(III) chloride on activated carbon; In gas; at 380 ℃; for 1.7h; Product distribution; var. temp., rate of the chlorofluoropopane; sev. chlorofluoropropanes; furth. reactions: in liquid phase with chlorine absorbed in antimony trifluoride at var. pressure;

DOI:10.1016/S0022-1139(00)82937-1

Reference yield:

1,1,1,2-tetrachloro-2,3,3,3-tetrafluoropropane (3175-64-2) → 2,2,3-trichloro-1,1,1,3,3-pentafluoropropane (1599-41-3) + 1,2,3-trichloro-1,1,2,3,3-pentafluoropropane (76-17-5) + 1,1,2-trichloro-1,2,3,3,3-pentafluoropropane (812-30-6)

Guidance literature:

With antimony(III) fluoride; chlorine; at 180 ℃; for 21h; Yield given. Yields of byproduct given;

upstream raw materials:

1,1,1,2-tetrachloro-2,3,3,3-tetrafluoropropane

prop-1-yne

Downstream raw materials:

2,2,3-trichloro-1,1,1,3,3-pentafluoropropane

1,1,1,2,2-pentachloro-3,3,3-trifluoropropane

2,3-dichloro-1,1,2,3,3-pentafluoropropane

1,1,2,3,3-pentafluoropropane

Refernces

• 1、 Kvicala, J.,Paleta, O.,Dedek, V.. "PREPARATION OF PERHALOGENATED CHLOROFLUOROPROPANES BY HALOGEN EXCHANGE IN THE LIQUID AND VAPOUR PHASES AND THEIR ISOMER ANALYSES BY 19 F NMR SPECTROSCOPY". . p. 155 - 175. Retrieved 2007/10/02.