883-93-2

Basic information

• Product Name: 2-Phenylbenzothiazole
• Synonyms: 2-Phenylbenzothiazole,97%;2-PHENYLBENZOTHIAZOLE FOR SYNTHESIS;2-Phenyl-1,3-benzothiazole;2-phenyl-benzothiazol;2-PHENYLBENZOTHIAZOLE;TIMTEC-BB SBB008076;2-PHENYLBENZOTHIAZOLE SUBLIMED &;Benzothiazole, 2-phenyl- (6CI,7CI,8CI,9CI)
• CAS NO: 883-93-2
• Molecular Formula: C₁₃H₉NS
• Molecular Weight: 211.28
• EINECS: 212-935-3
• Product Categories: Thiazoles;BENZOTHIAZOLE;API intermediates;Building Blocks;Heterocyclic Building Blocks
• Mol File: 883-93-2.mol
• Article Data: 542

Chemical Properties

• Melting Point: 111-113 °C(lit.)
• Boiling Point: 371 °C
• Flash Point: 371°C
• Appearance: grey needle-like crystals
• Density: 1.1424 (rough estimate)
• Vapor Pressure: 5.84E-05mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Storage Temp.: Store below +30°C.
• Solubility: Acetonitrile (Slightly), DMSO (Slightly)
• PKA: 0.80±0.10(Predicted)
• Water Solubility: INSOLUBLE
• BRN: 141340
• CAS DataBase Reference: 2-Phenylbenzothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Phenylbenzothiazole(883-93-2)
• EPA Substance Registry System: 2-Phenylbenzothiazole(883-93-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26
• WGK Germany: 3
• RTECS: DL5990000
• Hazardous Substances Data: 883-93-2(Hazardous Substances Data)

Usage

Description

2-Phenylbenzothiazole is an organic compound characterized by the fusion of a benzene ring and a benzothiazole ring, with a phenyl group attached to the second position. It exhibits unique chemical and physical properties, making it a versatile molecule for various applications.

Uses

Used in Environmental Monitoring:
2-Phenylbenzothiazole is used as a contaminant indicator in environmental studies, particularly for monitoring water and sediment quality in sedimentation ponds. Its detection in these environments helps assess the presence of pollutants and the effectiveness of wastewater treatment processes.
Used in Chemical Research:
2-Phenylbenzothiazole serves as a valuable compound in chemical research, where it can be utilized to study the properties and reactions of benzothiazoles and their derivatives. This knowledge can contribute to the development of new materials, pharmaceuticals, and other applications.
Used in Industrial Applications:
Although not explicitly mentioned in the provided materials, 2-Phenylbenzothiazole may also have potential uses in various industrial applications, such as in the synthesis of dyes, pigments, or as intermediates in the production of other organic compounds. Its specific role in these industries would depend on the requirements and properties needed for the end product.

InChI:InChI=1/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

Upstream product

• 98-87-3 benzylidene dichloride 
• 98370-54-8 zinc 2-aminobenzenethiolate 
• 51942-32-6 2-(benzoylamino)-1-(methylthio)benzene 
• 64-17-5 ethanol 
• 614-30-2 N-methyl-N-phenyl-benzenemethanamine 
• 56-23-5 tetrachloromethane 
• 100-52-7 benzaldehyde 
• 137-07-5 2-amino-benzenethiol 
• 1141-88-4 2-Aminophenyl disulfide 
• 98-88-4 benzoyl chloride 
• 103-72-0 phenyl isothiocyanate 
• 64-19-7 acetic acid 
• 100-47-0 benzonitrile 
• 98-07-7 Benzotrichlorid 

Downstream Products

• 2783-66-6 1-methyl-2-phenylbenzothiazolium iodide 
• 77333-67-6 6-bromo-2-phenylbenzo[d]thiazole 
• 38338-23-7 6-nitro-2-phenyl-benzothiazole 
• 137-07-5 2-amino-benzenethiol 
• 65-85-0 benzoic acid 
• 52797-55-4 N-(2-phenylmethyl)2-mercaptoaniline 
• 56048-64-7 2-(benzo[d]thiazol-2-yl)phenyl propionate 
• 1002026-30-3 2-(benzo[d]thiazol-2-yl)phenyl benzoate 
• 1454287-80-9 (2-(benzo[d]thiazol-2-yl)-4-methylphenyl)(phenyl)methanone 

Relevant articles and documents

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Synthesis of 2-Arylbenzothiazoles from Nitrobenzenes, Benzylamines, and Elemental Sulfur via Redox Cyclization

A sustainable advanced synthetic method was developed based on redox cyclization for the synthesis of 2-arylbenzothiazoles in good to excellent yields from readily available nitrobenzenes, benzylamines, and elemental sulfur without the use of transition-metal catalysts. This method is remarkable: nitro group reduction, a benzylamine redox reaction, sulfuration, condensation, and cyclization, all proceed in a single step to generate a heterocycle. It is also highly atom-economical and does not require any external oxidizing or reducing agents.

UV-visible light-induced photochemical synthesis of benzimidazoles by coomassie brilliant blue coated on W-ZnO@NH2nanoparticles

Heterogeneous photocatalysts proffer a promising method to actualize eco-friendly and green organic transformations. Herein, a new photochemical-based methodology is disclosed in the preparation of a wide range of benzimidazoles through condensation of o-phenylenediamine with benzyl alcohols in the air under the illumination of an HP mercury lamp in the absence of any oxidizing species catalyzed by a new photocatalyst W-ZnO@NH2-CBB. In this photocatalyst, coomassie brilliant blue (CBB) is heterogenized onto W-ZnO@NH2 to improve the surface characteristics at the molecular level and enhance the photocatalytic activity of both W-ZnO@NH2 and CBB fragments. This unprecedented heterogeneous nanocatalyst is also identified by means of XRD, FT-IR, EDS, TGA-DTG, and SEM. The impact of some influencing parameters on the synthesis route and effects on the catalytic efficacy of W-ZnO@NH2-CBB are also assessed. The appropriate products are attained for both the electron-withdrawing and electron-donating substituents in the utilized aromatic alcohols. Furthermore, preparation of benzimidazoles is demonstrated to occur mainly via a radical mechanism, which shows that reactive species such as ·O2-, OH and h+ would be involved in the photocatalytic process. Stability and reusability studies also warrant good reproducibility of the nanophotocatalyst for at least five runs. Eventually, a hot filtration test proved that the nanohybrid photocatalyst is stable in the reaction medium. Using an inexpensive catalyst, UV-vis light energy and air, as a low cost and plentiful oxidant, puts this methodology in the green chemistry domain and energy-saving organic synthesis strategies. Finally, the anticancer activity of W-ZnO nanoparticles is investigated on MCF7 breast cancer cells by MTT assay. This experiment reveals that the mentioned nanoparticles have significant cytotoxicity towards the selected cell line.