1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane

Base Information

• Chemical Name: 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
• CAS No.: 14115-45-8
• Molecular Formula: C6H4 F9 I
• Molecular Weight: 373.99
• Hs Code.: 2903799090
• European Community (EC) Number: 671-751-5
• DSSTox Substance ID: DTXSID00374773
• Wikidata: Q82163336
• Mol file: 14115-45-8.mol

Synonyms:14115-45-8;1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane;1-iodo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)butane;Butane, 1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)-;(perfluoro-t-butyl)-ethyl iodide;Butane,1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)-;DTXSID00374773;GKBGDCARGTVCJU-UHFFFAOYSA-N;MFCD00077611;AKOS005259959;FT-0702433;4,4,4-trifluoro-3,3-bis(trifluoromethyl)-1-iodobutane;1-Iodo-4,4,4-trifluoro-3,3-bis(trifluoromethyl) butane

Chemical Property of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane

Chemical Property:

• Vapor Pressure: 4.98mmHg at 25°C
• Refractive Index: 1.3902
• Boiling Point: 51-55°C 86mm
• Flash Point: 58.3°C
• PSA: 0.00000
• Density: 2,034 g/cm3
• LogP: 4.48480
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 373.92140
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

1-IODO-4,4,4-TRIFLUORO-3,3-BIS(TRIFLUOROMETHYL)BUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane

There total 2 articles about 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + perfluoro-tert-butyl iodide (4459-18-1) → β-(Perfluor-tert-butyl)-ethyl-jodid (14115-45-8)

Guidance literature:

In diethyl ether;

Reference yield:

ethene (74-85-1) + perfluoro-tert-butyl iodide (4459-18-1) → β-(Perfluor-tert-butyl)-ethyl-jodid (14115-45-8)

Guidance literature:

With dicyclohexyl peroxydicarbonate;

Reference yield:

β-(Perfluor-tert-butyl)-ethyl-jodid (14115-45-8) → (Perfluor-tert.-butyl)-ethylen (14115-46-9)

Guidance literature:

With potassium hydroxide; In paraffin;

upstream raw materials:

diazomethane

perfluoro-tert-butyl iodide

ethene

Downstream raw materials:

(Perfluor-tert.-butyl)-ethylen

β-(Perfluor-tert.-butyl)-ethanol

3,3-bis-(trifluoromethyl)-4,4,4-trifluoro-1-butyne

Toluene-4-sulfonic acid 4,4,4-trifluoro-3,3-bis-trifluoromethyl-butyl ester