ChemicalBook > CAS DataBase List > Benzothiazole

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
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.

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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Benzothiazole Suppliers

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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
HebeiShuoshengImportandExportco.,Ltd
Product
Benzothiazole 95-16-9
Price
US $6.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
2000KG/Month
Release date
2024-08-09
Hebei Weibang Biotechnology Co., Ltd
Product
Benzothiazole 95-16-9
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100 mt
Release date
2024-11-22

95-16-9, BenzothiazoleRelated Search:

2-Chlorobenzothiazole Diltiazem hydrochloride 2-Benzothiazolol 2-Amino-6-chlorobenzothiazole 2-Benzothiazolamine 2-Amino-6-methylbenzothiazole 2-Methyinaphtho[1,2-d]thiazole 2-Amino-6-methoxybenzothiazole DIRECT PURE YELLOW 5G 2-Mercaptobenzothiazole 2,2'-Dithiobis(benzothiazole) 2-(4-PIPERIDINYL)-1,3-BENZOTHIAZOLE N-Cyclohexyl-2-benzothiazolesulfenamide Thiazole 2,7-DICHLORO-4-METHYL-1,3-BENZOTHIAZOLE 2,5-DICHLORO-4-METHYL-1,3-BENZOTHIAZOLE 2-(6-CHLORO-3-PYRIDINYL)-1,3-BENZOTHIAZOLE 2-(4-HYDROXY-PHENYL)-BENZOTHIAZOLE-6-CARBOXYLIC ACID

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  • C13H18BNO3S
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  • -C6H4NCHS
  • C7H5NS
  • Thiazoles
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  • Building Blocks
  • Aromatics
  • Heterocycles
  • Sulfur & Selenium Compounds
  • Building Blocks
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  • Thiazoles
  • A-B
  • Alphabetical Listings
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