1,2,4-Trichloro-1,1,2-trifluorobutane

Base Information

• Chemical Name: 1,2,4-Trichloro-1,1,2-trifluorobutane
• CAS No.: 261760-97-8
• Molecular Formula: C4H4Cl3F3
• Molecular Weight: 215.43
• Hs Code.: 2903793090
• DSSTox Substance ID: DTXSID60382177
• Nikkaji Number: J2.614.267I
• Mol file: 261760-97-8.mol

Synonyms:1,2,4-trichloro-1,1,2-trifluorobutane;261760-97-8;DTXSID60382177;MFCD00077597;AKOS015848749;(S)-1,2,4-trichloro-1,1,2-trifluorobutane

Chemical Property of 1,2,4-Trichloro-1,1,2-trifluorobutane

Chemical Property:

• Boiling Point: 134-136°C
• PSA: 0.00000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 3.35150
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.933068
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98%min ^*data from raw suppliers

1,2,4-Trichloro-1,1,2-trifluorobutane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

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

Technology Process of 1,2,4-Trichloro-1,1,2-trifluorobutane

There total 4 articles about 1,2,4-Trichloro-1,1,2-trifluorobutane 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:

ethene (74-85-1) + 1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) → 1,2,4-trichloro-1,1,2-trifluorobutane (261760-97-8)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); at 50 - 120 ℃; under 7500.75 Torr; Autoclave;

Reference yield:

4-chloro-1,1,2-trifluorobut-1-ene (235106-11-3) → 1,2,4-trichloro-1,1,2-trifluorobutane (261760-97-8)

Guidance literature:

With chlorine; In dichloromethane; at 20 ℃;

DOI:10.1021/jo800472e

Reference yield:

4-bromo-1,2-dichloro-1,1,2-trifluorobutane (234096-23-2) → 1,2,4-trichloro-1,1,2-trifluorobutane (261760-97-8)

Guidance literature:

With tetramethlyammonium chloride; In dimethyl sulfoxide; at 25 ℃; for 2h;

DOI:10.1021/jo800472e

upstream raw materials:

4-chloro-1,1,2-trifluorobut-1-ene

4-bromo-1,2-dichloro-1,1,2-trifluorobutane

ethene

1,1,2-Trichloro-1,2,2-trifluoroethane

Downstream raw materials:

4-chloro-1,1,2-trifluorobut-1-ene

Refernces

• 1、 Shellhamer, Dale F.,Davenport, Kevyn J.,Forberg, Heidi K.,Herrick, Matthew P.,Jones, Rachel N.,Rodriguez, Sean J.,Sanabria, Sunamita,Trager, Nicole N.,Weiss, Ryan J.,Heasley, Victor L.,Boatz, Jerry A.. "Rearrangement of 3-membered 1,1,2-trifluorobromonium and iodonium ions and comparison of trifluorochloronium to fluorocarbenium ions". . p. 4532 - 4538. Retrieved 2008/09/20.