672-30-0

Basic information

• Product Name: 1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE
• Synonyms: 1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE;1-BROMO-3-(PENTAFLUOROTHIO)BENZENE;3-BROMOPHENYL-PENTAFLUOROSULFUR;3-BROMOPHENYLSULFUR PENTAFLUORIDE;3-BROMOPHENYLSULPHUR PENTAFLUORIDE;3-Pentefluorosulfur bromobenzene;1-Bromo-3-(pentafluorothio)benzene, 1-Bromo-3-(pentafluorosulphanyl)benzene;(3-Bromophenyl)sulfur pentafluoride technical grade
• CAS NO: 672-30-0
• Molecular Formula: C₆H₄BrF₅S
• Molecular Weight: 283.06
• Product Categories: Halides;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Organic Building Blocks;Pentafluorosulfanyls;Sulfur Compounds;Pentafluorosulfanyl;Building Blocks;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Sulfur Compounds
• Mol File: 672-30-0.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 82 °C(Press: 12 Torr)
• Flash Point: 88 °C
• Appearance: /
• Density: 1.831 g/mL at 25 °C
• Refractive Index: n20/D 1.480
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE(672-30-0)
• EPA Substance Registry System: 1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE(672-30-0)

Safety Data

• Hazard Codes: T,Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 672-30-0(Hazardous Substances Data)

Usage

Chemical Properties

Colorless to yellow liquid

Uses

3-Bromophenylsulfur Pentafluoride is a reactant in the preparation of blue-to-green emitting neutral Ir(III) complexes bearing pentafluorosulfanyl groups.

InChI:InChI=1/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H

Upstream product

• 2613-26-5 3-nitrophenylsulfur pentafluoride 
• 6320-01-0 3-Bromothiophenol 
• 19742-90-6 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene 
• 1062609-77-1 m-bromophenylsulfur chlorotetrafluoride 
• 654671-65-5 2,4,5-trichloropentafluorosulfanylcyclohexane 
• 89415-83-8 4,5-dichlorocyclohexene 
• 1165952-92-0 cyclohexa-1,4-diene 
• 2557-81-5 pentafluorosulfanylbenzene 
• 2993-22-8 3-pentafluorosulfuraniline 

Downstream Products

• 159896-31-8 1-[3-(pentafluorosulfanyl)phenyl]ethanone 
• 159727-25-0 2-bromo-4-(pentafluoro-λ⁶-sulfanyl)aniline 
• 401892-80-6 3-(pentafluorosulfanyl)benzaldehyde 
• 1800-65-3 3-(pentafluoro-λ⁶-sulfanyl)-N-phenylaniline 
• 286947-67-9 pentafluoro(3-iodophenyl)-λ⁶-sulfane 
• 1272542-25-2 (3-(benzyloxy)phenyl)pentafluoro-λ⁶-sulfane 

Relevant articles and documents

AgBF4-Mediated Chlorine-Fluorine Exchange Fluorination for the Synthesis of Pentafluorosulfanyl (Hetero)arenes

We report a new protocol to form pentafluorosulfanyl (hetero)arenes via chlorine-fluorine exchange of (hetero)aryl tetrafluorosulfanyl chlorides by AgBF4. The method enables access to electron-deficient pentafluorosulfanyl(hetero)arenes, which are targets that are difficult to synthesize. Two advantages of AgBF4 are its ease of handling and stability. This would be a general transformation protocol.

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

A difficult chlorine-fluorine (Cl-F) exchange fluorination reaction in the final stage of the preparation of pentafluoro-λ6-sulfanyl-(hetero)arenes having electron-withdrawing substituents has now been elucidated through the use of iodine pentafluoride. A major side-reaction of C-S bond cleavage was sufficiently inhibited by the potential interaction between F and I with a halogen bonding.

Ir-catalyzed preparation of SF5-substituted potassium aryl trifluoroborates via C-H borylation and their application in the Suzuki-Miyaura reaction

The preparation of new pentafluorosulfanyl-substituted potassium aryltrifluoroborates via Ir-catalyzed C-H borylation is reported. The utility of these novel building blocks was demonstrated in the Suzuki-Miyaura cross-coupling reaction, giving access to