4-Bromophenylsulfur pentafluoride

Base Information

• Chemical Name: 4-Bromophenylsulfur pentafluoride
• CAS No.: 774-93-6
• Molecular Formula: C6H4 Br F5 S
• Molecular Weight: 283.06
• Hs Code.: 2930909899
• European Community (EC) Number: 640-300-4
• DSSTox Substance ID: DTXSID70381313
• Nikkaji Number: J3.535.920F
• Wikidata: Q82172059
• Mol file: 774-93-6.mol

Synonyms:4-Bromophenylsulfur pentafluoride;774-93-6;1-bromo-4-(pentafluorosulfanyl)benzene;4-Bromophenylsulphur pentafluoride;(4-Bromophenyl)pentafluoro-l6-sulfane;(4-bromophenyl)-pentafluoro-lambda6-sulfane;1-bromo-4-(pentafluoro-lambda6-sulfanyl)benzene;1-bromo-4-(pentafluoro-lambda~6~-sulfanyl)benzene;SCHEMBL2109;DTXSID70381313;p-bromophenyl-sulfur pentafluoride;4-bromophenyl sulfur pentafluoride;4-bromophenyl-sulfur pentafluoride;RECCABBXFXGELM-UHFFFAOYSA-N;(4-bromophenyl)-pentafluorosulfane;1-bromo-4-pentafluorosulfanylbenzene;BBL102659;MFCD03425928;STL556463;(4-Bromophenyl)pentafluorosulfur(VI);1-bromo-4-(pentafluorsulfanyl)benzene;AKOS005254515;PS-11535;B3867;CS-0113018;J3.535.920F;EN300-182841;T71329;1-BROMO-4-(PENTAFLUORO-??-SULFANYL)BENZENE;SULFUR,(4-BROMOPHENYL)PENTAFLUORO-, (OC-6-21)- (9CI)

Chemical Property of 4-Bromophenylsulfur pentafluoride

Chemical Property:

• Refractive Index: 1.4790-1.4830
• Boiling Point: 77.2 °C(Press: 10 Torr)
• Flash Point: 84°C(lit.)
• PSA: 25.30000
• LogP: 5.10650
• Storage Temp.: 0-10°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 281.91372
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromophenylsulfur Pentafluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(F)(F)(F)(F)F)Br

Technology Process of 4-Bromophenylsulfur pentafluoride

There total 11 articles about 4-Bromophenylsulfur pentafluoride 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: 95.0%

4-(pentafluorosulfanyl)aniline (2993-24-0) → 1-bromo-4-pentafluorosulfanylbenzene (774-93-6)

Guidance literature:

With copper(ll) bromide; In acetonitrile; at 0 - 20 ℃; for 5h;

DOI:10.1016/j.jfluchem.2007.07.011

Reference yield: 79.0%

4-bromophenyltetetrafluoro-λ6-sulfanyl chloride (1062609-73-7) → 1-bromo-4-pentafluorosulfanylbenzene (774-93-6)

Guidance literature:

With zinc(II) fluoride; In n-heptane; for 17h; Inert atmosphere; Reflux;

DOI:10.3762/bjoc.8.53

Reference yield: 79.0%

→ 1-bromo-4-pentafluorosulfanylbenzene (774-93-6)

Guidance literature:

upstream raw materials:

4-(pentafluorosulfanyl)aniline

1-nitro-4-(pentafluorosulfanyl)benzene

bis(4-bromophenyl)disulfide

4-bromophenyltetetrafluoro-λ⁶-sulfanyl chloride

Downstream raw materials:

4-(pentafluoro- λ⁶-sulfanyl)benzaldehyde

4-(pentafluoro-λ⁶-sulfaneyl)phenol

4-(pentafluorosulfaneyl)benzonitrile

1-[4-(pentafluoro-λ⁶-sulfanyl)phenyl]methanamine

Refernces

• 1、 Wang, Lin,Ni, Shengyang,Cornella, Josep. "Validation of Arylphosphorothiolates as Convergent Substrates for Ar-SF 4Cl and Ar-SF 5Synthesis". supporting information. p. 4308 - 4312. Retrieved 2021/06/02.
• 2、 Cui, Benqiang,Kosobokov, Mikhail,Matsuzaki, Kohei,Tokunaga, Etsuko,Shibata, Norio. "IF5 affects the final stage of the Cl-F exchange fluorination in the synthesis of pentafluoro-λ6-sulfanyl-pyridines, pyrimidines and benzenes with electron-withdrawing substituents". . p. 5997 - 6000. Retrieved 2017/07/10.