1-Bromo-3-(2,2,2-trifluoro-ethylsulfanyl)-benzene

Base Information

• Chemical Name: 1-Bromo-3-(2,2,2-trifluoro-ethylsulfanyl)-benzene
• CAS No.: 850349-30-3
• Molecular Formula: C8H6 Br F3 S
• Molecular Weight: 271.0974496
• DSSTox Substance ID: DTXSID30590101
• Wikidata: Q82483771
• Mol file: 850349-30-3.mol

Synonyms:850349-30-3;1-Bromo-3-(2,2,2-trifluoro-ethylsulfanyl)-benzene;1-bromo-3-(2,2,2-trifluoroethylsulfanyl)benzene;1-bromo-3-[(2,2,2-trifluoroethyl)sulfanyl]benzene;Benzene,1-bromo-3-[(2,2,2-trifluoroethyl)thio]-;DTXSID30590101;(3-bromophenyl)(2,2,2-trifluoroethyl)sulfane;1-Bromo-3-(2,2,2-trifluoroethylsulfanyl)-benzene;A1-06907

Chemical Property of 1-Bromo-3-(2,2,2-trifluoro-ethylsulfanyl)-benzene

Chemical Property:

• Boiling Point: 239.8±40.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.63±0.1 g/cm3(Predicted)
• LogP: 4.10350
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.93257
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98.5% ^*data from raw suppliers

1-Bromo-3-(2,2,2-trifluoroethylsulfanyl)-benzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)SCC(F)(F)F

Technology Process of 1-Bromo-3-(2,2,2-trifluoro-ethylsulfanyl)-benzene

There total 2 articles about 1-Bromo-3-(2,2,2-trifluoro-ethylsulfanyl)-benzene 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: 74.0%

2,2,2-trifluorodiazoethane (371-67-5) + 3-Bromothiophenol (6320-01-0) → (3-bromophenyl)(2,2,2-trifluoroethyl)sulfane (850349-30-3)

Guidance literature:

With tetrakis(actonitrile)copper(I) hexafluorophosphate; In dichloromethane; at 20 ℃; for 19h; Inert atmosphere;

DOI:10.1002/anie.201511954

Reference yield:

→ (3-bromophenyl)(2,2,2-trifluoroethyl)sulfane (850349-30-3)

Guidance literature:

upstream raw materials:

2,2,2-trifluorodiazoethane

3-Bromothiophenol