3048-45-1

Basic information

• Product Name: Benzothiazole, 4-chloro- (7CI,8CI,9CI)
• Synonyms: Benzothiazole, 4-chloro- (7CI,8CI,9CI);4-Chlorobenzothiazole;4-chlorobenzo[d]thiazole;4-chloro-1,3-benzothiazole
• CAS NO: 3048-45-1
• Molecular Formula: C₇H₄ClNS
• Molecular Weight: 169.63136
• Product Categories: BENZOTHIAZOLE
• Mol File: 3048-45-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 267.824 °C at 760 mmHg
• Flash Point: 115.776 °C
• Appearance: /
• Density: 1.435 g/cm³
• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: 1.696
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.95±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 4-chloro- (7CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 4-chloro- (7CI,8CI,9CI)(3048-45-1)
• EPA Substance Registry System: Benzothiazole, 4-chloro- (7CI,8CI,9CI)(3048-45-1)

Safety Data

• Hazardous Substances Data: 3048-45-1(Hazardous Substances Data)

Usage

General Description

4-Chlorobenzothiazole, also indexed as 7CI, 8CI, 9CI, is a chemical compound with the molecular formula C7H4ClNS. This organic compound belongs to the class of benzothiazoles, which are heterocyclic compounds containing a benzene fused to a thiazole ring. The term '4-chloro' in its name refers to the substitution of a chlorine atom at the 4th position of the benzothiazole ring structure. While its exact uses are not specified, benzothiazoles are generally used in research and industry for their antimicrobial, fungicidal, and light-stabilizing properties. As with other chemicals, its handling and usage require careful attention, due to potential risks and hazards associated with it.

InChI:InChI=1/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H

Upstream product

• 3622-02-4 4-chloro-benzothiazole-2-carboxylic acid 
• 19952-47-7 4-chlorobenzo[d]thiazol-2-amine 
• 90533-10-1 N-(4-chloro-benzothiazol-2-yl)-acetamide 

Downstream Products

• 63755-08-8 2-[(2-amino-3-chlorophenyl)dithio]-6-chlorophenylamine 
• 19952-47-7 4-chlorobenzo[d]thiazol-2-amine 
• 1849-65-6 4-chloro-2-mercaptobenzothiazole 
• 3622-02-4 4-chloro-benzothiazole-2-carboxylic acid 
• 943443-15-0 4-(4-(1,1,1,3,3,3-hexafluoropropane-2-yl)phenyl)benzo[d]thiazole 
• 943443-10-5 4-(4-(trifluoromethyl)phenyl)benzo[d]thiazole 
• 943443-11-6 4-para-tolylbenzo[d]thiazole 
• 943443-17-2 4-phenylbenzo[d]thiazole 
• 179414-49-4 2-Bromomethyl-4-chloro-benzothiazole 
• 110704-20-6 4-chloro-2-(chloromethyl)benzo[d]thiazole 
• 40427-66-5 2-(phenylthio)-4-chlorobenzo[d]thiazole 

Relevant articles and documents

Photoelectrochemical cross-dehydrogenative coupling of benzothiazoles with strong aliphatic C-H bonds

A photoelectrochemical strategy for the cross-dehydrogenative coupling of unactivated aliphatic hydrogen donors (e.g.alkanes) with benzothiazoles is reported. We used tetrabutylammonium decatungstate as the photocatalyst to activate strong C(sp3)-H bonds in the chosen substrates, while electrochemistry scavenged the extra electrons.

Direct Transformation of Arylamines to Aryl Halides via Sodium Nitrite and N-Halosuccinimide

A one-pot universal approach for transforming arylamines to aryl halides via reaction with sodium nitrite (NaNO2) and N-halosuccinimide (NXS) in DMF at room temperature under metal- and acid-free condition is described. This new protocol that is complementary to the Sandmeyer reaction, is suggested to involve the in situ generation of nitryl halide induce nitrosylation of aryl amine to form the diazo intermediate which is halogenated to furnish the aryl halide.

(3R)-3-Amino-4-(2,4,5-trifluorophenyl)-N-{4-[6-(2-methoxyethoxy)benzothiazol-2-yl]tetrahydropyran-4-yl}butanamide as a potent dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes

Novel series of 3-amino-N-(4-aryl-1,1-dioxothian-4-yl)butanamides and 3-amino-N-(4-aryltetrahydropyran-4-yl)butanamides were synthesized and evaluated as dipeptidyl peptidase IV (DPP-IV) inhibitors. Derivatives incorporating the 6-substituted benzothiazole group showed highly potent DPP-IV inhibitory activity. Oral administration of (3R)-3-amino-4-(2,4,5-trifluorophenyl)-N-{4-[6-(2-methoxyethoxy)benzothiazol-2-yl]tetrahydropyran-4-yl}butanamide (12u) reduced blood glucose excursion in an oral glucose tolerance test.