1,1,2-Trichloro-3,3,3-trifluoropropene

Base Information

• Chemical Name: 1,1,2-Trichloro-3,3,3-trifluoropropene
• CAS No.: 431-52-7
• Molecular Formula: C3Cl3 F3
• Molecular Weight: 199.387
• Hs Code.: 2903799090
• European Community (EC) Number: 207-075-0
• NSC Number: 6824
• UNII: H2MQ7F3KMQ
• DSSTox Substance ID: DTXSID8073184
• Nikkaji Number: J28.337A
• Mol file: 431-52-7.mol

Synonyms:1,1,2-trichloro-3,3,3-trifluoro-1-propene;1,1,2-trichloro-3,3,3-trifluoropropene;TCTFP

Chemical Property of 1,1,2-Trichloro-3,3,3-trifluoropropene

Chemical Property:

• Melting Point: -114°C
• Refractive Index: 1.406
• Boiling Point: 88 °C
• Flash Point: 1.2°C
• PSA: 0.00000
• Density: 1.636g/cm³
• LogP: 3.43420
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.901768
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

98%min ^*data from raw suppliers

1,1,2-Trichloro-3,3,3-trifluoropropene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C(=C(Cl)Cl)(C(F)(F)F)Cl
• Uses: 1,1,2-Trichloro-3,3,3-trifluoropropene is used in method for producing cis-unsaturaded chlorofluorocarbon by cis-trans isomerization of trans isomers.

Technology Process of 1,1,2-Trichloro-3,3,3-trifluoropropene

There total 16 articles about 1,1,2-Trichloro-3,3,3-trifluoropropene 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: 74.2%

perchloropropene (1888-71-7) → 1,1,2-trichloro-3,3,3-trifluoropropene (431-52-7) + 1,1,2,3-tetrachloro-3,3-difluoropropene (431-50-5) + 1,1,2,3,3-pentachloro-3-fluoropropene (815-14-5)

Guidance literature:

With antimony(III) fluoride; at 170 ℃;

DOI:10.1016/S0022-1139(00)81610-3

Reference yield:

perchloropropene (1888-71-7) → 1,1,2-trichloro-3,3,3-trifluoropropene (431-52-7)

Guidance literature:

With hydrogen fluoride; antimonypentachloride;

Reference yield:

1,1,1,3,3-pentachloropropane (23153-23-3) → 1,1,3,3-tetrachloro-1-fluoropropane + 2,3,3-trichloro-1,1,1-trifluoropropane (431-51-6) + 1,1-dichloro-3,3,3-trifluoropropane (460-69-5) + 1,1,2-trichloro-3,3,3-trifluoropropene (431-52-7)

Guidance literature:

With hydrogen fluoride; TaClxFy; at 65 - 70 ℃; Product distribution / selectivity;

upstream raw materials:

Chlorodifluoromethane

perchloropropene

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

2-chloropentafluoropropene

Downstream raw materials:

1,2-dichlorotetrafluoropropene

1,1,2-trichloro-1,3,3,3-tetrafluoro-propane

2-chloro-1,1,1,3,3,3-hexafluoropropane

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

Refernces

• 1、 -. "Process of manufacturing 1,1,1,3,3-pentafluoropropane, process of manufacturing 2,2,3-trichloro 1,1,1,3,3-pentafluoropropane and process of manufacturing 2,3,3-trichloro-1,1,1-trifluoropropene". . . Retrieved 2008/06/13.
• 2、 Paleta, O.,Dadak, V.,Dedek, V.,Timpe, H.-J.. "PHOTOCHEMICAL REDUCTION OF CARBON-HALOGEN BONDS. 3. REGIOSELECTIVITY OF THE REACTION IN FLUORINATED HALOGENOPROPANOATES.". . p. 397 - 414. Retrieved 2007/10/02.