Benzothiazol

Bezeichnung:Benzothiazol

CAS-Nr95-16-9

Englisch Name:Benzothiazole

CBNumberCB1720657

SummenformelC7H5NS

Molgewicht135.19

MOL-Datei95-16-9.mol

Synonyma

Benzothiazol

Benzothiazol physikalisch-chemischer Eigenschaften

Schmelzpunkt	2 °C (lit.)
Siedepunkt	231 °C (lit.)
Dichte	1.238 g/mL at 25 °C (lit.)
Dampfdichte	4.66 (vs air)
Dampfdruck	34 mm Hg ( 131 °C)
Brechungsindex	n20/D 1.642(lit.)
FEMA	3256 \| BENZOTHIAZOLE
Flammpunkt	>230 °F
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	3g/l
Aggregatzustand	Liquid
pka	0.85±0.10(Predicted)
Farbe	Clear yellow-brown to brown
Geruch (Odor)	odor of quinoline, sltly water-sol
Geruchsart	sulfurous
Explosionsgrenze	0.9-8.2%(V)
Wasserlöslichkeit	slightly soluble
Merck	14,1107
JECFA Number	1040
BRN	109468
Stabilität	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
CAS Datenbank	95-16-9(CAS DataBase Reference)
NIST chemische Informationen	Benzothiazole(95-16-9)
EPA chemische Informationen	Benzothiazole (95-16-9)

Sicherheit

Kennzeichnung gefährlicher	Xn,T,Xi
R-Sätze:	22-20/21/22-36-25-24-20
S-Sätze:	23-26-36-36/37-45
RIDADR	2810
WGK Germany	2
RTECS-Nr.	DL0875000
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29342080
Giftige Stoffe Daten	95-16-9(Hazardous Substances Data)
Toxizität	LD50 i.v. in mice: 95±3 mg/kg (Domino)

Gefahreninformationscode (GHS)

Benzothiazole Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Beschreibung
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.
Chemische Eigenschaften
Benzothiazole has a delicate, persistent, rose-like odor similar to that of quinoline.
Chemische Eigenschaften
yellow liquid with an unpleasant odour
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.
Verwenden
Various benzothiazole-benzamides synthesized were evaluated for their analgesic and antidepressant activities.
Verwenden
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.
synthetische
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.
Definition
ChEBI: An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.
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
Allgemeine Beschreibung
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.
Sicherheitsprofil
Poison by ingestion,intraperitoneal, intravenous, and possibly other routes.When heated to decomposition it emits very toxic fumesof SOx, CN??, and NOx.
Einzelnachweise
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 Upstream-Materialien And Downstream Produkte

Benzothiazol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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