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Benzothiazole

Benzothiazole Structure
Benzothiazole
  • CAS No.95-16-9
  • Chemical Name:Benzothiazole
  • CBNumber:CB1720657
  • Molecular Formula:C7H5NS
  • Formula Weight:135.19
  • MOL File:95-16-9.mol
Benzothiazole Property
  • 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)
  • refractive index  :n20/D 1.642(lit.)
  • FEMA  :3256 | BENZOTHIAZOLE
  • Flash point: :>230 °F
  • storage temp.  :Refrigerator
  • solubility  :3g/l
  • pka :0.85±0.10(Predicted)
  • form  :Liquid
  • color  :Clear yellow-brown to brown
  • Odor :odor of quinoline, sltly water-sol
  • explosive limit :0.9-8.2%(V)
  • Water Solubility  :slightly soluble
  • JECFA Number :1040
  • 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.
  • InChIKey :IOJUPLGTWVMSFF-UHFFFAOYSA-N
  • CAS DataBase Reference :95-16-9(CAS DataBase Reference)
  • Substances Added to Food (formerly EAFUS) :BENZOTHIAZOLE
  • EWG's Food Scores :1
  • FDA UNII :G5BW2593EP
  • NIST Chemistry Reference :Benzothiazole(95-16-9)
  • EPA Substance Registry System :Benzothiazole (95-16-9)
Safety
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordDanger
  • Hazard statements H302-H311-H320-H402-H301-H301+H311-H319-H332
  • Precautionary statements P280-P301+P310-P305+P351+P338-P312-P301+P310+P330-P302+P352+P312-P261-P301+P310a-P501a-P264-P270-P273-P301+P312+P330-P302+P352+P312+P361+P364-P305+P351+P338+P337+P313-P405-P501
Benzothiazole Price More Price(14)
  • Brand: Sigma-Aldrich
  • Product number: 101338
  • Product name : Benzothiazole
  • Purity: 96%
  • Packaging: 5g
  • Price: $25.3
  • Updated: 2019/12/02
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  • Brand: Sigma-Aldrich
  • Product number: 101338
  • Product name : Benzothiazole
  • Purity: 96%
  • Packaging: 100g
  • Price: $34.9
  • Updated: 2019/12/02
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  • Brand: TCI Chemical
  • Product number: B0092
  • Product name : Benzothiazole
  • Purity: >96.0%(GC)
  • Packaging: 25mL
  • Price: $14
  • Updated: 2019/12/02
  • Buy: Buy
  • Brand: TCI Chemical
  • Product number: B0092
  • Product name : Benzothiazole
  • Purity: >96.0%(GC)
  • Packaging: 100mL
  • Price: $32
  • Updated: 2019/12/02
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  • Brand: Alfa Aesar
  • Product number: A10380
  • Product name : Benzothiazole, 97%
  • Purity: 
  • Packaging: 50g
  • Price: $17.5
  • Updated: 2019/12/02
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Benzothiazole Chemical Properties,Usage,Production

  • Description Benzothiazole 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 Properties yellow liquid with an unpleasant odour
  • Chemical Properties Benzothiazole has a delicate, persistent, rose-like odor similar to that of quinoline.
  • Occurrence Reported found in apricot, cooked asparagus, mozzarella cheese, skim milk powder, roasted beef, beer, malt whiskey, coconut meat, fresh mango, cooked broccoli and kelp.
  • Uses In organic synthesis.
  • Uses Various benzothiazole-benzamides synthesized were evaluated for their analgesic and antidepressant activities.
  • Definition ChEBI: An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.
  • Preparation By 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 values Detection: 80 to 450 ppb
  • Taste threshold values Taste characteristics at 3 ppm: meaty, vegetative, brown, cooked, beefy and coffee-like.
  • Hazard Highly toxic by ingestion.
  • Safety Profile Poison by ingestion,intraperitoneal, intravenous, and possibly other routes.When heated to decomposition it emits very toxic fumesof SOx, CN??, and NOx.
  • References Gupta, 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
Raw materials
Preparation Products
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  • C7H5NS
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  • Building Blocks
  • Thiazoles
  • Heterocyclic Building Blocks
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  • BENZOTHIAZOLE
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  • Alphabetical Listings
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  • Building Blocks
  • Heterocyclic Building Blocks
  • Thiazoles
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