95-16-9

Basic information

• Product Name: Benzothiazole
• Synonyms: 1,3-BENZOTHIAZOLE;LABOTEST-BB LT01409601;FEMA NUMBER 3256;FEMA 3256;BENZOTHIAZOLE;1-Thia-3-azaindene;Benzosulfonazole;Benzothiazol
• CAS NO: 95-16-9
• Molecular Formula: C₇H₅NS
• Molecular Weight: 135.19
• EINECS: 202-396-2
• Product Categories: Pharmaceutical Intermediates;BENZOTHIAZOLE;Sulphur Derivatives;Organics;Organoborons;A-B;Alphabetical Listings;Flavors and Fragrances;Building Blocks;Heterocyclic Building Blocks;Thiazoles;Aromatics;Heterocycles;Sulfur & Selenium Compounds
• Mol File: 95-16-9.mol
• Article Data: 182

Chemical Properties

• Melting Point: 2 °C(lit.)
• Boiling Point: 231 °C(lit.)
• Flash Point: >230 °F
• Appearance: Clear yellow-brown to brown/Liquid
• Density: 1.238 g/mL at 25 °C(lit.)
• Vapor Density: 4.66 (vs air)
• Vapor Pressure: 34 mm Hg ( 131 °C)
• Refractive Index: n20/D 1.642(lit.)
• Storage Temp.: Refrigerator
• Solubility: 3g/l
• PKA: 0.85±0.10(Predicted)
• Explosive Limit: 0.9-8.2%(V)
• Water Solubility: slightly soluble
• Stability: Stable - regarded as highly persistent in the environment. Incompatible with strong oxidizing agents. Combustion products: nitro
• Merck: 14,1107
• BRN: 109468
• CAS DataBase Reference: Benzothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole(95-16-9)
• EPA Substance Registry System: Benzothiazole(95-16-9)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 22-20/21/22-36-25-24-20
• Safety Statements: 23-26-36-36/37-45
• RIDADR: 2810
• WGK Germany: 2
• RTECS: DL0875000
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 95-16-9(Hazardous Substances Data)

Usage

Chemical Description

Benzothiazole is a heterocyclic compound containing a sulfur atom and a nitrogen atom in its ring structure.

Chemical Description

Benzothiazole is a heterocyclic compound containing a benzene ring fused to a thiophene ring and a nitrogen atom.

InChI:InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Upstream product

• 290-87-9 1,3,5-Triazine 
• 137-07-5 2-amino-benzenethiol 
• 615-20-3 2-chlorobenzo[d][1,3]thiazole 
• 6375-65-1 (2-nitro-phenylsulfanyl)-acetic acid 
• 121-69-7 N,N-dimethyl-aniline 
• 109-72-8 n-butyllithium 
• 110307-02-3 2-(benzothiazol-2-ylthio)-3-(trimethylsilyl)pyridine 
• 110307-01-2 2-(benzothiazol-2-ylthio)-3-pyridine 
• 67-56-1 methanol 
• 32137-76-1 benzothiazole-2-carboxylic acid ethyl ester 
• 67219-33-4 2-phenylmethanesulfonyl-benzothiazole 
• 95091-06-8 2-cyclohexanesulfonyl-benzothiazole 
• 95091-07-9 2-(Pyridine-2-sulfonyl)-benzothiazole 
• 100-61-8 N-methylaniline 

Downstream Products

• 33787-78-9 2-(1,4-dioxan-2-yl)benzo[d]thiazole 
• 40105-27-9 2-Trioxanylbenzothiazid 
• 92081-75-9 benzothiazole-2-dithiocarboxylate methyl ester 
• 180003-04-7 C₂₆H₃₁N₅O₅S 
• 149-30-4 2-thioxo-3H-1,3-benzothiazole 
• 615-20-3 2-chlorobenzo[d][1,3]thiazole 
• 203455-56-5 (1-(benzothiazol-2-yl-hydroxy-methyl)-4-{[tert-butoxycarbonylimino-(4-methoxy-2,3,6-trimethyl-benzenesulfonylamino)-methyl]-amino}-butyl)-carbamic acid tert-butyl ester 
• 883-93-2 2-Phenylbenzothiazole 
• 4464-60-2 bis(1,3-benzothiazol-2-yl)methanone 
• 2602-85-9 benzothiazole-2-carbonitrile 
• 122433-27-6 N-(1-benzo[b]thiazol-2-ylethyl)-N-(benzyloxy)amine 
• 35844-59-8 2,3-dihydro-2-(1,1-dimethylethyl)benzothiazole 
• 17626-88-9 2-(tert-butyl)benzo[d]thiazole 
• 946837-22-5 benzo[d]thiazol-2-yl(3-benzyloxyphenyl)methanone 

Relevant articles and documents

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A Mild, General, Metal-Free Method for Desulfurization of Thiols and Disulfides Induced by Visible-Light

A visible-light-induced metal-free desulfurization method for thiols and disulfides has been explored. This radical desulfurization features mild conditions, robustness, and excellent functionality compatibility. It was successfully applied not only to the desulfurization of small molecules, but also to peptides.

Method for reducing aromatic C-N/Cl C/I bond to aromatic-H / D

A method of reducing C an aromatic-N C/Cl/I bond to an aromatic-H / D, the process being a stable aromatic quaternary ammonium salt. After addition of the base and the solvent, the aromatic compound or the deuterated aromatic compound can be efficiently prepared by irradiation with visible light or ultraviolet light. The method can efficiently convert stable aromatic-N/I chemical bonds into aromatic-H / D bonds by visible light or ultraviolet light in a cheap and easily available solvent or deuterated solvent without using a catalyst or a transition metal compound C C. The whole production process is green, environment-friendly, low in cost, wide in substrate applicability, high in yield, high in deuterated rate, simple and convenient to operate, free of explosion risk and remarkable in advantage compared with the conventional production process.

Synthesis method of benzothiazole compound

The invention relates to a novel process for synthesizing benzothiazole compounds, which comprises the following steps of: (1) heating and stirring orthoester, o-aminothiophenol and derivatives thereof to react, monitoring the reaction process by TLC, and obtaining crude benzothiazole compounds after the reaction is finished; and (2) distilling the crude benzothiazole compound obtained in the step (1) or recrystallizing by using a solvent, and filtering to obtain the benzothiazole compound. According to the method, no solvent is added in the reaction process, the separation and purification process is optimized, and green production of fine chemicals is effectively achieved; and no catalyst is added, the operation is simple, the reaction time is remarkably shortened, the production efficiency of the product is improved, and the yield can reach 79%-90%. The problems of environmental pollution, potential safety hazards, harm to human health, resource waste and the like caused by the solvent are fundamentally solved, and the method has extremely high green industrialization value.