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Benzothiazole

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Benzothiazole Basic information
Benzothiazole Chemical Properties
  • Melting point:2 °C(lit.)
  • Boiling point:231 °C(lit.)
  • Density 1.238 g/mL at 25 °C(lit.)
  • vapor density 4.66 (vs air)
  • vapor pressure 34 mm Hg ( 131 °C)
  • FEMA 3256 | BENZOTHIAZOLE
  • refractive index n20/D 1.642(lit.)
  • Flash point:>230 °F
  • storage temp. Refrigerator
  • solubility 3g/l
  • form Liquid
  • pka0.85±0.10(Predicted)
  • color Clear yellow-brown to brown
  • Odorodor of quinoline, sltly water-sol
  • explosive limit0.9-8.2%(V)
  • Water Solubility slightly soluble
  • JECFA Number1040
  • Merck 14,1107
  • BRN 109468
  • Stability:Stable - regarded as highly persistent in the environment. Incompatible with strong oxidizing agents. Combustion products: nitrogen oxides, carbon monoxide, carbon dioxide, sulphur oxides.
  • InChIKeyIOJUPLGTWVMSFF-UHFFFAOYSA-N
  • CAS DataBase Reference95-16-9(CAS DataBase Reference)
  • NIST Chemistry ReferenceBenzothiazole(95-16-9)
  • EPA Substance Registry SystemBenzothiazole (95-16-9)
Safety Information
MSDS
Benzothiazole Usage And Synthesis
  • DescriptionBenzothiazole and its derivative are recognized as the most important heterocyclic compounds. This series of compounds is of particular interests. It has various kinds of pharmacological properties and has been included in many kinds of natural products and pharmaceutical agents. The broad spectrum of pharmacological activity in individual benzothiazole derivative enables it to serve as unique and valuable scaffolds for experimental drug design. It is already known that benzothiazole and its derivative has various biological applications including anticancer, antimicrobial, anticonvulsant, antiviral, antidiabetic, antipsychotic, antiinflammatory, analgesic, fungicidal and diuretic. Its derivatives also have many applications in polymer chemistry, dyes, drugs, and silver photography as well as rubber industry.
  • Chemical Propertiesyellow liquid with an unpleasant odour
  • Chemical PropertiesBenzothiazole has a delicate, persistent, rose-like odor similar to that of quinoline.
  • OccurrenceReported found in apricot, cooked asparagus, mozzarella cheese, skim milk powder, roasted beef, beer, malt whiskey, coconut meat, fresh mango, cooked broccoli and kelp.
  • UsesIn organic synthesis.
  • UsesVarious benzothiazole-benzamides synthesized were evaluated for their analgesic and antidepressant activities.
  • DefinitionChEBI: An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.
  • PreparationBy refluxing a mixture of zinc o-aminophenylsulfide and formic acid, followed by steam distillation of the alkalized reaction mixture; by heating formanilid or dimethylaniline with sulfur; by oxidation of 2-mercaptobenzothiazole or of the corresponding disulfide.
  • Aroma threshold valuesDetection: 80 to 450 ppb
  • Taste threshold valuesTaste characteristics at 3 ppm: meaty, vegetative, brown, cooked, beefy and coffee-like.
  • Synthesis Reference(s)Journal of the American Chemical Society, 77, p. 6559, 1955 DOI: 10.1021/ja01629a041
  • HazardHighly toxic by ingestion.
  • Safety ProfilePoison by ingestion,intraperitoneal, intravenous, and possibly other routes.When heated to decomposition it emits very toxic fumesof SOx, CN??, and NOx.
  • ReferencesGupta, Akhilesh, and S. Rawat. "Synthesis and cyclization of benzothiazole." J. of Current Pharmaceutical Research 3.1 (2010): 13-25.
    Keri, Rangappa S., et al. "A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry." European journal of medicinal chemistry 89 (2015): 207-251.
    Khokra, Sukhbir L., et al. "Common methods to synthesize benzothiazole derivatives and their medicinal significance: a review." International Journal of Pharmaceutical Sciences and Research 2.6 (2011): 1356.
Benzothiazole Preparation Products And Raw materials
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