2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

Base Information

• Chemical Name: 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
• CAS No.: 4459-16-9
• Molecular Formula: C4Cl F9
• Molecular Weight: 254.483
• Hs Code.: 2903791090
• DSSTox Substance ID: DTXSID70382148
• Wikidata: Q82173464
• Mol file: 4459-16-9.mol

Synonyms:4459-16-9;2-chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;(2-Chloro)hexafluoro-2-(trifluoromethyl)propane;Propane, 2-chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)-;perfluoro-t-butyl chloride;DTXSID70382148;SHPWBDPPMAFZLV-UHFFFAOYSA-N;AKOS016015300;FT-0635309;A826632

Chemical Property of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

Chemical Property:

• Vapor Pressure: 535mmHg at 25°C
• Refractive Index: 1.274
• Boiling Point: 34.8°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.64g/cm³
• LogP: 3.65090
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 253.9544812
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

99%min ^*data from raw suppliers

(2-CHLORO)HEXAFLUORO-2-(TRIFLUOROMETHYL)PROPANE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

There total 2 articles about 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane 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: 92.0%

1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (382-24-1) → 2-chlorononafluoro-2-methylpropane (4459-16-9)

Guidance literature:

With potassium fluoride; Iodine monochloride; In sulfolane;

Reference yield:

1,1,1,2,3,5,5,5-Octafluoro-2,3,4,4-tetrakis-trifluoromethyl-pentane (122432-75-1) → 2-Chloro-F-propane (76-18-6) + 2-chlorononafluoro-2-methylpropane (4459-16-9) + Perfluoro-2-chloro-3-methylbutane (90398-74-6) + 2-Chloro-1,1,1,2,4,4,4-heptafluoro-3,3-bis-trifluoromethyl-butane

Guidance literature:

With chlorine; at 201 ℃; for 48h;

DOI:10.1016/0022-1139(93)02945-B

upstream raw materials:

1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

1,1,1,2,3,5,5,5-Octafluoro-2,3,4,4-tetrakis-trifluoromethyl-pentane

Refernces

• 1、 Ponomarev, V. F.,Podsevalov, P. V.,Nazarenko, T. I.,Deev, L. E.,Pashkevich, K. I.. "UNEXPECTED TRANSFORMATION OF FLUORINE-CONTAINING CH ACIDS IN REACTION WITH IODINE CHLORIDE". . p. 1179 - 1180. Retrieved 2007/10/02.