53218-26-1

Basic information

• Product Name: 6-BROMO-1,3-BENZOTHIAZOLE
• Synonyms: BENZOTHIAZOLE, 6-BROMO-;6-BROMO-1,3-BENZOTHIAZOLE;6-BROMO-BENZO[D]THIAZOLE;Benzothiazole, 6-bromo- (9CI);6-BROMO-BENZOTHIAZOLE;6-Bromo-1,3-benzothiazole ,97%;6-Bromobenzothiazole,97%
• CAS NO: 53218-26-1
• Molecular Formula: C₇H₄BrNS
• Molecular Weight: 214.08
• Product Categories: BENZOTHIAZOLE
• Mol File: 53218-26-1.mol
• Article Data: 19

Chemical Properties

• Melting Point: 52-54℃
• Boiling Point: 291.493 °C at 760 mmHg
• Flash Point: 130.09 °C
• Appearance: /
• Density: 1.748 g/cm³
• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.718
• Storage Temp.: 2-8°C
• PKA: 0.21±0.10(Predicted)
• CAS DataBase Reference: 6-BROMO-1,3-BENZOTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-BROMO-1,3-BENZOTHIAZOLE(53218-26-1)
• EPA Substance Registry System: 6-BROMO-1,3-BENZOTHIAZOLE(53218-26-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: 2811
• Hazardous Substances Data: 53218-26-1(Hazardous Substances Data)

Usage

Chemical Properties

Off-white powder

InChI:InChI=1/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H

Upstream product

• 533-30-2 1,3-benzothiazol-6-amine 
• 15864-32-1 2-amino-6-bromobenzothiazole 
• 122-51-0 orthoformic acid triethyl ester 
• 23451-95-8 2-amino-5-bromobenzenethiol 
• 66416-72-6 4-bromo-2-iodoaniline 
• 67-68-5 dimethyl sulfoxide 
• 68-12-2 N,N-dimethyl-formamide 
• 95-16-9 1,3-Benzothiazole 
• 2942-06-5 6-nitrobenzo[d]thiazole 
• 124-38-9 carbon dioxide 

Downstream Products

• 19989-35-6 1-(benzo[d]thiazol-6-yl)ethan-1-one 
• 1093281-38-9 (4-(benzo[d]thiazol-6-yl)phenyl)methanol 
• 1576-59-6 2-amino-5-bromobenzenesulfonic acid 
• 1366767-41-0 6-[4-(4-{[1-(cyclopropylcarbonyl)-3-azetidinyl]methyl}-4H-1,2,4-triazol-3-yl)phenyl]-1,3-benzothiazole 
• 499769-91-4 1,3-benzthiazol-6-ylboronic acid 
• 77333-67-6 6-bromo-2-phenylbenzo[d]thiazole 
• 94834-01-2 1-(6-bromobenzo[d]thiazol-2-yl)ethan-1-one 
• 1204299-67-1 C₁₆H₉BrN₂OS 
• 30132-85-5 7-Amino-6-bromobenzothiazol 
• 1002309-47-8 6‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)‐1,3‐benzothiazole 
• 15864-32-1 2-amino-6-bromobenzothiazole 

Relevant articles and documents

Iron-catalyzed tandem oxidative coupling and acetal hydrolysis reaction to prepare formylated benzothiazoles and isoquinolines

The aldehyde group is one of the most versatile intermediates in synthetic chemistry, and the introduction of an aldehyde group into heteroarenes is important for the transformation of molecular structure. Herein, we achieved the direct formylation of benzothiazo/les and isoquinolines. The reaction features a novel iron-catalyzed Minisci-type oxidative coupling process using commercially available 1,3-dioxolane as a formylated reagent followed by acetal hydrolysis without a separation process. The reaction can be performed under exceedingly mild reaction conditions and exhibits broad functional group tolerance.

Photoelectrochemical cross-dehydrogenative coupling of benzothiazoles with strong aliphatic C-H bonds

A photoelectrochemical strategy for the cross-dehydrogenative coupling of unactivated aliphatic hydrogen donors (e.g.alkanes) with benzothiazoles is reported. We used tetrabutylammonium decatungstate as the photocatalyst to activate strong C(sp3)-H bonds in the chosen substrates, while electrochemistry scavenged the extra electrons.

Method for synthesizing benzothiazole by microwave radiation of benzothioamide compound in aqueous phase

The invention discloses a method for synthesizing benzothiazole by microwave radiation of a benzothioamide compound in an aqueous phase. The method includes the steps: adding the benzothioamide compound into the aqueous phase under microwave conditions; performing cyclization under alkaline conditions to generate the benzothiazole. The method for preparing the benzothiazole is environmentally friendly, simple and convenient in operation, safe, cheap and efficient. Compared with the prior art, the method is applicable to a lot of functional groups, high in yield, few in by-products, simple in operation, safe, low in cost and environmentally friendly.