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2-Benzothiazolecarbonitrile(7CI,8CI,9CI), with the chemical formula C9H5NS, is a benzothiazole derivative known for its common structural motif in pharmaceutical and agrochemical compounds. 2-Benzothiazolecarbonitrile(7CI,8CI,9CI) exhibits potential biological activity and is utilized as an intermediate in the synthesis of heterocyclic compounds, dyes, rubber antioxidants, and fungicides, making it a versatile chemical entity in various industries.

2602-85-9

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2602-85-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Benzothiazolecarbonitrile(7CI,8CI,9CI) is used as an intermediate in the synthesis of heterocyclic compounds for its potential biological activity, which is being studied for the development of pharmaceutical compounds. Its unique structure and properties contribute to the creation of new drugs with therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Benzothiazolecarbonitrile(7CI,8CI,9CI) serves as an intermediate in the synthesis of various agrochemical compounds, including fungicides. Its role in developing effective fungicides helps protect crops from fungal infections, ensuring better agricultural yields.
Used in Dye Industry:
2-Benzothiazolecarbonitrile(7CI,8CI,9CI) is utilized as an intermediate in the production of dyes, contributing to the development of a wide range of colorants used in various applications, such as textiles, plastics, and printing inks.
Used in Rubber Industry:
As a component in the manufacture of rubber antioxidants, 2-Benzothiazolecarbonitrile(7CI,8CI,9CI) plays a crucial role in enhancing the durability and performance of rubber products. Its antioxidant properties help prevent the degradation of rubber, extending the lifespan of rubber-based items.

Check Digit Verification of cas no

The CAS Registry Mumber 2602-85-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,6,0 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 2602-85:
(6*2)+(5*6)+(4*0)+(3*2)+(2*8)+(1*5)=69
69 % 10 = 9
So 2602-85-9 is a valid CAS Registry Number.

2602-85-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-Benzothiazole-2-carbonitrile

1.2 Other means of identification

Product number -
Other names benzothiazole nitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2602-85-9 SDS

2602-85-9Relevant academic research and scientific papers

Eco-Friendly Microwave-Assisted Scaleable Synthesis of 2-Cyanobenzothiazoles via N-Arylimino-1,2,3-dithiazoles

Frere, Stephane,Thiery, Valerie,Besson, Thierry

, p. 3795 - 3804 (2007/10/03)

The cyclization procedure of N-aryl iminodithiazoles into 2-cyanobenzothiazoles was re-investigated with the aim to develop original and environmentally friendly procedures. In this article, the benefits associated with the microwave methodology are reported and the opportunity to use solvent-free procedures in order to scale up organic synthesis is studied. The result obtained show that the strong thermal effects due to graphite/microwaves interaction can be efficiently used for the synthesis of heterocyclic molecules for which traditional methods failed or are less attractive.

Synthesis of heteroarenecarbonitriles by electrophilic cyanation; Reaction of metalated heteroarenes with p-toluenesulfonyl cyanide

Nagasaki, Izuru,Suzuki, Yumiko,Iwamoto, Ken-Ichi,Higashino, Takeo,Miyashita, Akira

, p. 443 - 450 (2007/10/03)

Several heteroarenecarbonitriles (5) were synthesized in moderate yields from heteroarenes (3) through metalation, followed by electrophilic cyanation using p-toluenesulfonyl cyanide. Similarly, trimethylsilylheteroarenes (8) were converted to heteroarenecarbonitriles (5) in good yields by treatment with p-toluenesulfonyl cyanide.

Stereochemistry of the olefin formation from anti and syn heterocyclic β-hydroxy sulfones.

Baudin, J. B.,Hareau, G.,Julia, S. A.,Ruel, O.

, p. 336 - 357 (2007/10/02)

Reaction of aldehydes R2-CHO with the new lithio derivatives of 2-benzothiazoles or pyridines R1-CH2-SO2-Het afforded the corresponding β-hydroxy sulfones which are stable in the pyridine series and generally unstable in the benzothiazole series except for anti derivatives 10a and 20c. t-Butyl-dimethyl silyl ethers of all the heterocyclic β-hydroxy sulfones have been obtained by oxidation of the corresponding anti and syn sulfides, which have been stereoselectively prepared from the epoxides 17, 19, 21 and 23.The lithium or tetrabutylammonium alkoxides of heterocyclic β-hydroxy sulfones undergo an intramolecular addition to the neighboring C=N group followed by an S to O benzothiazole (or pyridine) transfer, and simultaneous extrusion of sulfur dioxide, ejection of benzothiazol-2(3H)-one anion and formation of the corresponding olefins.From the data of twenty cases studied, it can be concluded that the final elimination is entirely antiperiplanar only for the alkoxides of β-hydroxy-BT- or Pyr-sulfones anti or syn bearing saturated aliphatic chains R1 and R2 and for anti derivatives with R1 = R2 = C6H5.Due to their equilibration however, the alkoxides of numerous derivatives of heterocyclic (3-methylbut-2-enyl) or (phenylmethyl) sulfones do not follow entirely the above antiperiplanar elimination. Keywords: heteroaromatic sulfones / intramolecular ipso reaction / organolithium derivatives / stereochemistry / eliminations / olefination

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