2-Bromo-2-cyanohexafluoropropane

Base Information

• Chemical Name: 2-Bromo-2-cyanohexafluoropropane
• CAS No.: 52198-56-8
• Molecular Formula: C4BrF6N
• Molecular Weight: 255.94
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30371230
• Nikkaji Number: J2.279.463I
• Wikidata: Q82158504
• Mol file: 52198-56-8.mol

Synonyms:2-Bromo-2-cyanohexafluoropropane;52198-56-8;2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanenitrile;tert-Butylethylether;bromohexafluoroisobutyronitrile;DTXSID30371230;FT-0611566;A828967;2-Bromo-2-(trifluoromethyl)-3,3,3-trifluoropropanenitrile;Propanenitrile, 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)-

Chemical Property of 2-Bromo-2-cyanohexafluoropropane

Chemical Property:

• Vapor Pressure: 7.2E-07mmHg at 25°C
• Refractive Index: 1.353
• Boiling Point: 69.6°Cat760mmHg
• Flash Point: °C
• PSA: 23.79000
• Density: 1.91g/cm³
• LogP: 2.76828
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 254.91183
• Heavy Atom Count: 12
• Complexity: 204

Purity/Quality:

98%Min ^*data from raw suppliers

2-BROMO-2-CYANOHEXAFLUOROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(C(F)(F)F)(C(F)(F)F)Br

Technology Process of 2-Bromo-2-cyanohexafluoropropane

There total 3 articles about 2-Bromo-2-cyanohexafluoropropane 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: 80.0%

2H-hexafluoroisobutyronitrile (382-17-2) + bromine (7726-95-6) → 1-bromo-2-trifluoromethyl-trifluoroethyl-1-cyanide (52198-56-8)

Guidance literature:

With CH₃COOK; In water; at 20°C, 2 h;

Reference yield:

bromine (7726-95-6) + Bis-(α-cyano-hexafluorisopropyl)-quecksilber (52198-58-0) → 1-bromo-2-trifluoromethyl-trifluoroethyl-1-cyanide (52198-56-8)

Guidance literature:

In N,N-dimethyl-formamide; byproducts: HgBr2; at 20°C;

Reference yield:

→ 1-bromo-2-trifluoromethyl-trifluoroethyl-1-cyanide (52198-56-8)

Guidance literature:

Nitril I, B2;

DOI:10.1007/BF00921153

upstream raw materials:

2H-hexafluoroisobutyronitrile

bromine

Bis-(α-cyano-hexafluorisopropyl)-quecksilber