1H,1H,2H,2H-Perfluorohexyl bromide

Base Information

• Chemical Name: 1H,1H,2H,2H-Perfluorohexyl bromide
• CAS No.: 38436-14-5
• Molecular Formula: C6H4BrF9
• Molecular Weight: 326.987
• Hs Code.: 2903799090
• European Community (EC) Number: 812-971-5
• DSSTox Substance ID: DTXSID50371297
• Wikidata: Q72500550
• Mol file: 38436-14-5.mol

Synonyms:38436-14-5;1H,1H,2H,2H-Perfluorohexyl bromide;6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane;1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane;Hexane, 6-bromo-1,1,1,2,2,3,3,4,4-nonafluoro-;1-Bromo-2-(perfluorobutyl)ethane;starbld0018800;6-bromo-1,1,1,2,2,3,3,4,4-nonafluoro-hexane;SCHEMBL2495980;DTXSID50371297;UDFSAZKDTBRQDY-UHFFFAOYSA-N;BBL101962;MFCD00077576;STL555759;AKOS016015463;MS-20339;1H,1H,2H,2H-PERFLUOROHEXYLBROMIDE;CS-0327493;FT-0607471;S12066;A824149

Chemical Property of 1H,1H,2H,2H-Perfluorohexyl bromide

Chemical Property:

• Vapor Pressure: 13.1mmHg at 25°C
• Refractive Index: 1.331
• Boiling Point: 128.1 °C at 760 mmHg
• Flash Point: 31.3 °C
• PSA: 0.00000
• Density: 1.721 g/cm³
• LogP: 4.23960
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 325.93527
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Uses: 1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane is an intermediate used in the preparation of fluoroalkyldistannoxanes.

Technology Process of 1H,1H,2H,2H-Perfluorohexyl bromide

There total 1 articles about 1H,1H,2H,2H-Perfluorohexyl bromide 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) + nonafluoro-1-bromobutane (375-48-4) → 1H,1H,2H,2H-perfluoro-n-hexyl bromide (38436-14-5)

Guidance literature:

With di-tert-butyl peroxide;

DOI:10.1021/jo00948a040

Reference yield: 99.0%

1H,1H,2H,2H-perfluoro-n-hexyl bromide (38436-14-5) + dibenzyldibromotin(IV) (10113-32-3) → (C4F9C2H4)2Sn(CH2C6H5)2 (444809-28-3)

Guidance literature:

With Mg; In tetrahydrofuran; diethyl ether; (Ar); C4F9C2H4Br in Et2O was added dropwise to stirred suspn. of Mg in Et2O at 0°C; mixt. was stirred at room temp. for 3 h; dild. with Et2O; (C6H5CH2)2SnBr2 in THF was added at 0°C; mixt. was stirred at room temp. for 24 h; dild. with C6H14; filtered through celite pad; filtrate evapd.; residue chromd. (SiO2, C6H14);

DOI:10.1016/S0022-328X(01)01398-5

Reference yield:

1H,1H,2H,2H-perfluoro-n-hexyl bromide (38436-14-5) → 3,3,4,4,5,5,6,6,6-nonafluorohexyliodide (2043-55-2,71215-70-8)

Guidance literature:

With sodium iodide; In acetone; Reflux; Inert atmosphere;

DOI:10.1021/jacs.0c07126

upstream raw materials:

ethene

nonafluoro-1-bromobutane

Downstream raw materials:

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

(3,3,4,4,5,5,6,6,6-nonafluorohexyl)methyldichlorosilane

2,4,6-Trimethyl-2,4,6-tris-(3,3,4,4,5,5,6,6,6-nonafluoro-hexyl)-[1,3,5,2,4,6]trioxatrisilinane

2,4,6-Trimethyl-2,4,6-tris-(3,3,4,4,5,5,6,6,6-nonafluoro-hexyl)-[1,3,5,2,4,6]trioxatrisilinane