3-Bromophenylsulfur pentafluoride

Base Information

• Chemical Name: 3-Bromophenylsulfur pentafluoride
• CAS No.: 672-30-0
• Molecular Formula: C6H4BrF5S
• Molecular Weight: 283.06
• Hs Code.: 29309090
• European Community (EC) Number: 636-283-8
• DSSTox Substance ID: DTXSID50381311
• Nikkaji Number: J2.071.571E
• Wikidata: Q82172057
• Mol file: 672-30-0.mol

Synonyms:672-30-0;3-Bromophenylsulfur pentafluoride;1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE;(3-Bromophenyl)sulfur pentafluoride;3-Bromophenylsulphur pentafluoride;(3-bromophenyl)-pentafluoro-lambda6-sulfane;SCHEMBL3962;1-bromo-3-(pentafluoro-lambda~6~-sulfanyl)benzene;DTXSID50381311;3-Bromophenylpentafluorosulfur(VI);BBL100404;MFCD03425927;STL554198;AKOS005254369;AT20888;PS-11536;(3-bromophenyl)-pentafluoro-$l^{6}-sulfane;B3866;CS-0156868;1-bromo-3-(pentafluoro-|E?-sulfanyl)benzene;EN300-29892;1-bromo-3-(pentafluoro-lambda6-sulfanyl)benzene;A835667;(3-Bromophenyl)sulfur pentafluoride, technical grade;1-BROMO-3-(PENTAFLUORO-??-SULFANYL)BENZENE;Z295409406

Chemical Property of 3-Bromophenylsulfur pentafluoride

Chemical Property:

• Refractive Index: n20/D 1.480
• Boiling Point: 82 °C(Press: 12 Torr)
• Flash Point: 88 °C
• PSA: 25.30000
• Density: 1.831 g/mL at 25 °C
• LogP: 5.10650
• Storage Temp.: Inert atmosphere,Room Temperature
• 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: 208

Purity/Quality:

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

3-Bromophenylsulfur Pentafluoride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)S(F)(F)(F)(F)F
• Uses: 3-Bromophenylsulfur Pentafluoride is a reactant in the preparation of blue-to-green emitting neutral Ir(III) complexes bearing pentafluorosulfanyl groups.

Technology Process of 3-Bromophenylsulfur pentafluoride

There total 10 articles about 3-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: 96.0%

3-pentafluorosulfuraniline (2993-22-8) → (3-bromophenyl)pentafluoro-λ6-sulfane (672-30-0)

Guidance literature:

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

DOI:10.1016/j.jfluchem.2007.07.011

Reference yield: 93.7%

pentafluorosulfanylbenzene (2557-81-5) → (3-bromophenyl)pentafluoro-λ6-sulfane (672-30-0)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; trifluoroacetic acid; at 20 ℃; for 48h;

DOI:10.1021/ol0491991

Reference yield: 78.0%

m-bromophenylsulfur chlorotetrafluoride (1062609-77-1) → (3-bromophenyl)pentafluoro-λ6-sulfane (672-30-0)

Guidance literature:

With zinc(II) fluoride; at 120 ℃; for 15h; Inert atmosphere;

DOI:10.3762/bjoc.8.53

upstream raw materials:

3-pentafluorosulfuraniline

pentafluorosulfanylbenzene

cyclohexa-1,4-diene

4,5-dichlorocyclohexene

Downstream raw materials:

1-[3-(pentafluorosulfanyl)phenyl]ethanone

2-bromo-4-(pentafluoro-λ⁶-sulfanyl)aniline

3-(pentafluorosulfanyl)benzaldehyde

ethyl 2-cyclohex-2-en-1-yl-5-(pentafluorosulfanyl)benzoate