Cas no 1849-70-3 (4,7-dichloro-1,3-benzothiazol-2-amine)

4,7-Dichloro-1,3-benzothiazol-2-amine is a halogenated benzothiazole derivative with significant utility in organic synthesis and pharmaceutical research. Its key advantages include its role as a versatile intermediate in the preparation of heterocyclic compounds, particularly those with potential biological activity. The dichloro substitution at the 4 and 7 positions enhances its reactivity, facilitating selective functionalization for further derivatization. The amine group at the 2-position offers additional sites for modification, making it valuable for constructing complex molecular frameworks. This compound exhibits stability under standard handling conditions and is compatible with a range of synthetic methodologies, contributing to its broad applicability in medicinal chemistry and material science.
4,7-dichloro-1,3-benzothiazol-2-amine structure
1849-70-3 structure
Product Name:4,7-dichloro-1,3-benzothiazol-2-amine
CAS No:1849-70-3
MF:C7H4Cl2N2S
MW:219.091057777405
MDL:MFCD04971841
CID:118144
PubChem ID:2049891
Update Time:2025-11-02

4,7-dichloro-1,3-benzothiazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4,7-Dichlorobenzo[d]thiazol-2-amine
    • 2-Benzothiazolamine,4,7-dichloro-
    • 4,7-Dichloro-1,3-benzothiazol-2-amine
    • 2-amino-4,7- dichloro-benzothiazole
    • 2-Amino-4,7-dichlor-benzothiazol
    • 2-Amino-4,7-dichlor-benzo-thiazol
    • 2-Amino-4,7-dichlorobenzothiazole
    • 4,7-dichloro-benzothiazol-2-ylamine
    • AC1M1HB5
    • CTK7E1017
    • F1911-0021
    • PubChem21751
    • 2-Benzothiazolamine,4,7-dichloro-(9CI)
    • 2-BenzothiazolaMine, 4,7-dichloro-
    • MFCD04971841
    • BAA84970
    • MLS000678447
    • SMR000323913
    • (4-Methyl-6-trifluoromethylpyrimidin-2-ylsulfanyl)aceticacid
    • 1849-70-3
    • SCHEMBL6664363
    • CHEMBL1340314
    • DTXSID70365971
    • HMS2712L13
    • EN300-237768
    • AKOS009252018
    • STL503519
    • DB-027741
    • 4,7-dichloro-1,3-benzothiazol-2-amine
    • MDL: MFCD04971841
    • Inchi: 1S/C7H4Cl2N2S/c8-3-1-2-4(9)6-5(3)11-7(10)12-6/h1-2H,(H2,10,11)
    • InChI Key: SVUNGWGACJPVHB-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C2=C1SC(N)=N2)Cl

Computed Properties

  • Exact Mass: 217.94742
  • Monoisotopic Mass: 217.9472247g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 67.2?2

Experimental Properties

  • PSA: 38.91
  • LogP: 3.11540

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4,7-dichloro-1,3-benzothiazol-2-amine Related Literature

Additional information on 4,7-dichloro-1,3-benzothiazol-2-amine

4,7-Dichloro-1,3-benzothiazol-2-amine (CAS No. 1849-70-3): A Comprehensive Overview

4,7-Dichloro-1,3-benzothiazol-2-amine (CAS No. 1849-70-3) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This benzothiazole derivative is known for its unique structural properties and versatile applications. With the increasing demand for heterocyclic compounds in research and industry, understanding the characteristics and uses of 4,7-dichloro-1,3-benzothiazol-2-amine is essential for professionals and enthusiasts alike.

The molecular structure of 4,7-dichloro-1,3-benzothiazol-2-amine features a benzothiazole core substituted with chlorine atoms at the 4 and 7 positions and an amino group at the 2 position. This configuration imparts distinct chemical reactivity, making it a valuable intermediate in synthetic chemistry. Researchers often explore its potential in developing bioactive molecules, given its ability to interact with various biological targets. The compound’s chlorinated benzothiazole backbone is particularly noteworthy for its stability and electronic properties, which are leveraged in advanced material applications.

One of the most prominent applications of 4,7-dichloro-1,3-benzothiazol-2-amine is in the pharmaceutical industry. It serves as a key building block for the synthesis of drug candidates with potential therapeutic effects. Recent studies have highlighted its role in the development of antimicrobial agents and anti-inflammatory compounds, addressing global health challenges such as antibiotic resistance and chronic inflammatory diseases. The compound’s ability to modulate biological pathways makes it a focal point in medicinal chemistry research.

In agrochemicals, 4,7-dichloro-1,3-benzothiazol-2-amine is utilized in the formulation of crop protection agents. Its structural attributes contribute to the efficacy of pesticides and herbicides, helping to enhance agricultural productivity. With the growing emphasis on sustainable farming practices, researchers are investigating eco-friendly derivatives of this compound to minimize environmental impact while maintaining high performance. This aligns with the broader trend of developing green chemistry solutions in the agrochemical sector.

The material science community has also recognized the potential of 4,7-dichloro-1,3-benzothiazol-2-amine. Its incorporation into functional materials, such as organic semiconductors and fluorescent dyes, has opened new avenues for innovation. The compound’s electron-withdrawing properties and thermal stability make it suitable for use in optoelectronic devices, including OLEDs and sensors. As the demand for advanced materials grows, the role of benzothiazole derivatives in technological advancements becomes increasingly significant.

From a market perspective, the demand for 4,7-dichloro-1,3-benzothiazol-2-amine is driven by its diverse applications across multiple industries. Suppliers and manufacturers are focusing on optimizing synthesis routes to improve yield and purity, ensuring consistent quality for end-users. The compound’s global market trends reflect its importance in research and industrial processes, with regions like North America, Europe, and Asia-Pacific leading in production and consumption.

Safety and handling of 4,7-dichloro-1,3-benzothiazol-2-amine are critical considerations for laboratory and industrial settings. Proper storage conditions, such as cool and dry environments, are recommended to maintain its stability. While the compound is not classified as highly hazardous, adherence to standard laboratory safety protocols is essential to prevent exposure and ensure safe usage. Material Safety Data Sheets (MSDS) provide detailed guidelines for handling and disposal, emphasizing the importance of responsible chemical management.

In conclusion, 4,7-dichloro-1,3-benzothiazol-2-amine (CAS No. 1849-70-3) is a multifaceted compound with wide-ranging applications in pharmaceuticals, agrochemicals, and material science. Its unique benzothiazole structure and functional groups make it a valuable asset in synthetic and applied chemistry. As research continues to uncover new possibilities, this compound is poised to play an even greater role in addressing contemporary scientific and industrial challenges. For researchers and industry professionals, staying informed about the latest developments related to 4,7-dichloro-1,3-benzothiazol-2-amine is crucial for leveraging its full potential.

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