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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. Keep in dark place,Inert atmosphere,Room temperature
solubility 3g/l
form Liquid
pka 0.85±0.10(Predicted)
color Clear yellow-brown to brown
Odor odor of quinoline, sltly water-sol
Odor Type sulfurous
explosive limit 0.9-8.2%(V)
biological source synthetic
Water Solubility slightly soluble
Merck 14,1107
JECFA Number 1040
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
LogP 2.01
Substances Added to Food (formerly EAFUS) BENZOTHIAZOLE
CAS DataBase Reference 95-16-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII G5BW2593EP
NIST Chemistry Reference Benzothiazole(95-16-9)
EPA Substance Registry System Benzothiazole (95-16-9)
UNSPSC Code 85151701
NACRES NA.24

Safety

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 Data :95-16-9(Hazardous Substances Data)
Toxicity :LD50 i.v. in mice: 95±3 mg/kg (Domino)

NFPA 704:

	1
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H301+H311-H319
Precautionary statements P264-P270-P280-P301+P310-P302+P352+P312-P305+P351+P338

Benzothiazole Price More Price(14)

Brand: Sigma-Aldrich(India)
Product number: W325600
Product name : Benzothiazole
Purity: ≥96%, FG
Packaging: 1SAMPLE
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W325600
Product name : Benzothiazole
Purity: ≥96%, FG
Packaging: 1KG
Price: ₹19268.5
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W325600
Product name : Benzothiazole
Purity: ≥96%, FG
Packaging: 10KG
Price: ₹160004.33
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W325600
Product name : Benzothiazole
Purity: ≥96%, FG
Packaging: 25KG
Price: ₹332868.75
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 101338
Product name : Benzothiazole
Purity: 96%
Packaging: 5G
Price: ₹2100.05
Updated: 2022/06/14
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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 It 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.
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.
Synthesis Reference(s) Journal of the American Chemical Society, 77, p. 6559, 1955 DOI: 10.1021/ja01629a041
General Description Benzothiazole, 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.
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.
Toxics Screening Level The initial threshold screening level (ITSL) for benzothiozole is 1 μg/m3 (annual averaging time).
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.