Benzothiazole

ChemicalBook > CAS DataBase List > Benzothiazole

Product Name: Benzothiazole
CAS No.: 95-16-9
Chemical Name: Benzothiazole
Synonyms: Benzo[d]thiazole;Benzothiazol;1,3-BENZOTHIAZOLE;Vangard BT;o-2857;NSC 8040;vangardbt;FEMA 3256;usafek-4812;Benzthiazole
CBNumber: CB1720657
Molecular Formula: C7H5NS
Formula Weight: 135.19
MOL File: 95-16-9.mol

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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
biological source: synthetic
explosive limit: 0.9-8.2%(V)
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
CAS DataBase Reference: 95-16-9(CAS DataBase Reference)
NIST Chemistry Reference: Benzothiazole(95-16-9)
EPA Substance Registry System: Benzothiazole (95-16-9)

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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)

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 101338
Product name: Benzothiazole
Purity: 96%
Packaging: 5g
Price: $36.4
Updated: 2024/03/01

Sigma-Aldrich

Product number: 101338
Product name: Benzothiazole
Purity: 96%
Packaging: 100g
Price: $62.4
Updated: 2024/03/01

TCI Chemical

Product number: B0092
Product name: Benzothiazole
Purity: >96.0%(GC)
Packaging: 25mL
Price: $31
Updated: 2024/03/01

TCI Chemical

Product number: B0092
Product name: Benzothiazole
Purity: >96.0%(GC)
Packaging: 100mL
Price: $73
Updated: 2024/03/01

Alfa Aesar

Product number: A10380
Product name: Benzothiazole, 97%
Packaging: 50g
Price: $25.3
Updated: 2024/03/01

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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

Various benzothiazole-benzamides synthesized were evaluated for their analgesic and antidepressant activities.

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.

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.

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

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.

Benzothiazole Preparation Products And Raw materials

Raw materials

Zinc sulfide N-Methylaniline 2-Mercaptobenzothiazole Ammonium nitrate Molybdenum disulfide N,N-Dimethylaniline

Preparation Products

Pramipexole 6-Aminobenzothiazole Direct Fast Yellow RR DIRECT YELLOW 27 Basic Yellow 24

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View Lastest Price from Benzothiazole manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd

Product: Benzothiazole 95-16-9
Price: US $32.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 5000kg/week
Release date: 2024-05-15

Hebei Saisier Technology Co., LTD

Product: Benzothiazole 95-16-9
Price: US $6.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 2000KG/MONTH
Release date: 2024-04-17

Hebei Mujin Biotechnology Co.,Ltd

Product: Benzothiazole 95-16-9
Price: US $0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 50000KG/month
Release date: 2023-06-29

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