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Benzothiazole

Benzothiazole Suppliers list
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CAS:95-16-9
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Benzothiazole manufacturers

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Related articles

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  • Jan 24,2022
Benzothiazole Basic information
Product Name:Benzothiazole
Synonyms:BENZOTHIAZOLE 96+%;Benzothiazole (6CI,8CI,9CI);Benzothiazole,97%;Benzthiazole;o-2857;USAF ek-4812;usafek-4812;vangardbt
CAS:95-16-9
MF:C7H5NS
MW:135.19
EINECS:202-396-2
Product Categories:Aromatics;Heterocycles;Sulfur & Selenium Compounds;Building Blocks;Heterocyclic Building Blocks;Thiazoles;A-B;Alphabetical Listings;Flavors and Fragrances;Organoborons;Pharmaceutical Intermediates;BENZOTHIAZOLE;Sulphur Derivatives;Organics
Mol File:95-16-9.mol
Benzothiazole Structure
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)
refractive index n20/D 1.642(lit.)
FEMA 3256 | BENZOTHIAZOLE
Fp >230 °F
storage temp. Keep in dark place,Inert atmosphere,Room temperature
solubility 3g/l
form Liquid
pka0.85±0.10(Predicted)
color Clear yellow-brown to brown
Odorodor of quinoline, sltly water-sol
Odor Typesulfurous
explosive limit0.9-8.2%(V)
Water Solubility slightly soluble
Merck 14,1107
JECFA Number1040
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
LogP2.01
CAS DataBase Reference95-16-9(CAS DataBase Reference)
NIST Chemistry ReferenceBenzothiazole(95-16-9)
EPA Substance Registry SystemBenzothiazole (95-16-9)
Safety Information
Hazard Codes Xn,T,Xi
Risk 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
HS Code 29342080
Hazardous Substances Data95-16-9(Hazardous Substances Data)
ToxicityLD50 i.v. in mice: 95±3 mg/kg (Domino)
MSDS Information
ProviderLanguage
Benzothiazole English
SigmaAldrich English
ACROS English
ALFA English
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.
UsesIt is an interesting carbonyl equivalent and reacts with aldehydes or ketones to generate α-hydroxy carbonyl compounds. Benzothiazole is used as a chemical intermediate in organic synthesis. It is a precursor of rubber accelerators and a component of cyanine dyes. It is also used as a flavoring substance. It is also used as a flavor, antimicrobial agent, and component of cyanine dyes. Its derivatives are used as rubber accelerators.
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
General DescriptionBenzothiazole, a volatile sulfur-containing heterocyclic compound, is one of the key odorants of heated milk. It is also reported to occur as a flavor component of miso, coconut meat and cooked-beef.
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.
Tag:Benzothiazole(95-16-9) Related Product Information
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