864265-77-0

Basic information

• Product Name: 2-bromobenzo[d]thiazole-6-carbonitrile
• Synonyms: 2-bromobenzo[d]thiazole-6-carbonitrile;2-Bromo-6-benzothiazolecarbonitrile;2-BroMo-benzothiazole-6-carbonitrile
• CAS NO: 864265-77-0
• Molecular Formula: C₈H₃BrN₂S
• Molecular Weight: 239.096
• Mol File: 864265-77-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 180-182℃
• Boiling Point: 381.675°C at 760 mmHg
• Flash Point: 184.631°C
• Appearance: /
• Density: 1.83
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.74
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 2-bromobenzo[d]thiazole-6-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromobenzo[d]thiazole-6-carbonitrile(864265-77-0)
• EPA Substance Registry System: 2-bromobenzo[d]thiazole-6-carbonitrile(864265-77-0)

Safety Data

• Hazardous Substances Data: 864265-77-0(Hazardous Substances Data)

Usage

General Description

2-bromobenzo[d]thiazole-6-carbonitrile is a chemical compound with the molecular formula C9H4BrN3S. It is a derivative of thiazole, containing a bromine atom and a nitrile group attached to the 6th carbon of the benzothiazole ring. 2-bromobenzo[d]thiazole-6-carbonitrile has potential applications in pharmaceuticals, agrochemicals, and materials science due to its unique structure and properties. It may be used as a building block in the synthesis of various organic compounds, including those with biological or industrial relevance. Additionally, the bromine atom in its structure may confer reactivity that allows for functionalization and modification, making 2-bromobenzo[d]thiazole-6-carbonitrile a versatile intermediate in chemical synthesis.

InChI:InChI=1/C8H3BrN2S/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H

Upstream product

• 19759-66-1 2-amino-6-cyanobenzthiazole 

Relevant articles and documents

Novel Cyano- And amidinobenzothiazole derivatives: Synthesis, antitumor evaluation, and X-ray and quantitative structure-activity relationship (QSAR) analysis

Synthesis of a series of novel cyano-and amidinobenzothiazole derivatives 3-31 is described. All studied amidino derivatives showed noticeable antiproliferative effect on several tumor cell lines. Cyano derivatives 11-17 showed considerably less pronounced activity because of their poor solubility in aqueous cell culture medium, which was confirmed by the principal components (PC) analysis. Compounds 21, 22, 28, and 29 were tested for their effects on the cell cycle and apoptosis, whereby 22 and 29, having methyl group at the C-6 position in pyridine ring, showed drastic cell cycle perturbations that were both concentration- and time-dependent and induced apoptosis. The QSAR modeling, based on the physicochemical descriptors and on the measured biological activities, indicated the relevance of molecular polarizability and particular distribution of pharmacophores on the molecular surface for activity. In conclusion, benzothiazoles containing either isopropylamidino or imidazolyl groups will be considered as starting compounds for further investigation on lead identification.