40176-80-5

Basic information

• Product Name: 2-ETHYNYL-BENZO[D]THIAZOLE
• Synonyms: 2-ETHYNYL-BENZO[D]THIAZOLE;Benzothiazole, 2-ethynyl- (9CI);2-Ethynylbenzothiazole
• CAS NO: 40176-80-5
• Molecular Formula: C₉H₅NS
• Molecular Weight: 159.2077
• Product Categories: BENZOTHIAZOLE
• Mol File: 40176-80-5.mol

Chemical Properties

• Melting Point: 41 °C
• Boiling Point: 278°C at 760 mmHg
• Flash Point: 122.5°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 0.00738mmHg at 25°C
• Refractive Index: 1.683
• PKA: -0.32±0.10(Predicted)
• CAS DataBase Reference: 2-ETHYNYL-BENZO[D]THIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYNYL-BENZO[D]THIAZOLE(40176-80-5)
• EPA Substance Registry System: 2-ETHYNYL-BENZO[D]THIAZOLE(40176-80-5)

Safety Data

• Hazardous Substances Data: 40176-80-5(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2-Ethynyl-benzo[d]thiazole is used as a reactant for the preparation of diborylalkenes through a Bronsted base catalyzed reaction between terminal alkynes and bis(pinacolato)diboron. This application takes advantage of the compound's reactivity and ability to form new chemical bonds, contributing to the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Ethynyl-benzo[d]thiazole is used as a building block for the development of novel therapeutic agents. Its unique chemical structure allows for the creation of new drug candidates with potential applications in various medical conditions.
Used in Material Science:
2-Ethynyl-benzo[d]thiazole is also utilized in the field of material science, where it can be employed in the design and synthesis of new materials with specific properties. Its incorporation into polymers or other materials can lead to the development of advanced materials with improved characteristics, such as enhanced stability, conductivity, or optical properties.

InChI:InChI=1/C9H5NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h1,3-6H

Upstream product

• 1123-99-5 2-iodobenzothiazole 
• 220079-65-2 2-(2-trimethylsilylethynyl)-1,3-benzothiazole 

Downstream Products

• 1260375-43-6 C₂₃H₂₃N₅O₄S 

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