27058-83-9

Basic information

• Product Name: 2-AMINO-4-CHLOROBENZOTHIAZOLE HYDROBROMIDE
• Synonyms: 2-amino-4-chloro-benzothiazolhydrobromide;2-AMINO-4-CHLOROBENZOTHIAZOLE HBR;2-AMINO-4-CHLOROBENZOTHIAZOLE HYDROBROMIDE;2-Amino-5-Chlorobenzophenone/2-Amino-5-chloro-2-benzophenone;4-chlorobenzothiazol-2-amine monohydrobromide
• CAS NO: 27058-83-9
• Molecular Formula: BrH*C₇H₅ClN₂S
• Molecular Weight: 265.56
• EINECS: 248-194-8
• Mol File: 27058-83-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 240-242°C
• Boiling Point: 344.3°Cat760mmHg
• Flash Point: 162°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 6.65E-05mmHg at 25°C
• CAS DataBase Reference: 2-AMINO-4-CHLOROBENZOTHIAZOLE HYDROBROMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-4-CHLOROBENZOTHIAZOLE HYDROBROMIDE(27058-83-9)
• EPA Substance Registry System: 2-AMINO-4-CHLOROBENZOTHIAZOLE HYDROBROMIDE(27058-83-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• RTECS: DL1670000
• Hazardous Substances Data: 27058-83-9(Hazardous Substances Data)

Usage

General Description

2-Amino-4-chlorobenzothiazole hydrobromide is a chemical compound with the molecular formula C7H7BrN2S. It is a synthetic organic compound that is commonly used in research and in the pharmaceutical industry. This chemical is particularly known for its use as an intermediate in the synthesis of various pharmaceuticals and organic compounds. It has the potential to exhibit biological activity and may be used as a building block in the development of pharmaceutical drugs. Additionally, 2-Amino-4-chlorobenzothiazole hydrobromide is a white to off-white crystalline powder that is soluble in water, making it useful in various laboratory and industrial applications.

InChI:InChI=1/C7H5ClN2S.BrH/c8-4-2-1-3-5-6(4)10-7(9)11-5;/h1-3H,(H2,9,10);1H

Upstream product

• 137-04-2 2-chloroaniline hydrochloride 
• 5344-82-1 o-chlorophenylthiourea 
• 95-51-2 o-chloroaniline 

Downstream Products

• 19952-47-7 4-chlorobenzo[d]thiazol-2-amine 
• 40925-72-2 2-amino-3-chlorobenzenethiol 

Relevant articles and documents

Synthesis, cytotoxic evaluation, and in silico studies of substituted N-alkylbromo-benzothiazoles

In efforts to develop a new class of anticancer agents with improved efficacy and selective action, a series of N-alkylbromo-benzothiazoles were synthesized and evaluated for in vitro cytotoxic activity against various human cancer cell lines such as lung (A-549), prostate (PC-3), leukemia (THP-1), and colon (Caco-2). They were found to be highly active against prostate (PC-3) and leukemia (THP-1) cancer cells, moderately active against colon (Caco-2) cancer cells and less active against lung (A-549) cancer cells. Of the 12 compounds, two (11d, 11j) exhibit IC50 values of ≤ 1 μM against leukemia (THP-1) cancer cell lines. Compound 11l showed significant cytotoxic activity against the PC-3 (IC50 = 0.6 μM), THP-1 (IC50 = 3 μM) and Caco-2 cell lines (IC50 = 9.9 μM), respectively. Docking study of the synthesized ligand was done on epidermal growth factor receptor using ArgusLab flexible docking, to determine their observed activity. Further QSAR investigations with stepwise multiple linear regression analysis were applied to find correlation between various physicochemical parameters and anticancer activity. The QSAR results showed that anticancer activity could be modeled with descriptors. The predictive ability of models was cross-validated by observation of the low residual activity values and adjusted coefficient of variation (radj2) obtained by leave-one-out technique.