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2-(Bromomethyl)-7-chlorobenzothiazole, a chemical compound with the molecular formula C8H5BrClNS, is a benzothiazole derivative featuring a bromomethyl group and a chlorine atom on the aromatic ring. It is recognized for its reactivity and potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science.

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  • 848696-95-7 Structure
  • Basic information

    1. Product Name: 2-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLE
    2. Synonyms: 2-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLE
    3. CAS NO:848696-95-7
    4. Molecular Formula: C8H5BrClNS
    5. Molecular Weight: 262.55
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 848696-95-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 324.2±22.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.777±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -0.88±0.30(Predicted)
    10. CAS DataBase Reference: 2-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLE(848696-95-7)
    12. EPA Substance Registry System: 2-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLE(848696-95-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 848696-95-7(Hazardous Substances Data)

848696-95-7 Usage

Uses

Used in Organic Synthesis:
2-(Bromomethyl)-7-chlorobenzothiazole is utilized as a building block in organic synthesis for the production of a range of pharmaceuticals, agrochemicals, and materials. Its unique structure and reactivity make it a valuable intermediate for creating complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-(Bromomethyl)-7-chlorobenzothiazole is used as a key intermediate for the synthesis of various drugs. Its presence in the molecular structure can contribute to the development of new therapeutic agents with improved pharmacological properties.
Used in Agrochemical Industry:
2-(Bromomethyl)-7-chlorobenzothiazole is also employed in the agrochemical industry, where it serves as a precursor for the synthesis of pesticides and other agrochemical products. Its incorporation can enhance the effectiveness and selectivity of these compounds in agricultural applications.
Used in Antimicrobial Applications:
2-(Bromomethyl)-7-chlorobenzothiazole has been studied for its potential antimicrobial properties. It can be used as an antimicrobial agent in various applications, such as in the development of new antibiotics or as a component in disinfectants and sanitizers.
Used in Anticancer Applications:
Research has indicated that 2-(Bromomethyl)-7-chlorobenzothiazole possesses anticancer properties. It can be used as a chemotherapeutic agent or in combination with other treatments to enhance the effectiveness of cancer therapies.
Used in Material Science:
In material science, 2-(Bromomethyl)-7-chlorobenzothiazole can be used to develop new materials with specific properties, such as improved thermal stability, electrical conductivity, or chemical resistance. Its unique structure and reactivity contribute to the creation of innovative materials for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 848696-95-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,8,6,9 and 6 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 848696-95:
(8*8)+(7*4)+(6*8)+(5*6)+(4*9)+(3*6)+(2*9)+(1*5)=247
247 % 10 = 7
So 848696-95-7 is a valid CAS Registry Number.

848696-95-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(bromomethyl)-7-chloro-1,3-benzothiazole

1.2 Other means of identification

Product number -
Other names -

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:848696-95-7 SDS

848696-95-7Downstream Products

848696-95-7Relevant articles and documents

Creating an antibacterial with in vivo efficacy: Synthesis and characterization of potent inhibitors of the bacterial cell division protein FTSZ with improved pharmaceutical properties

Haydon, David J.,Bennett, James M.,Brown, David,Collins, Ian,Galbraith, Greta,Lancett, Paul,MacDonald, Rebecca,Stokes, Neil R.,Chauhan, Pramod K.,Sutariya, Jignesh K.,Nayal, Narendra,Srivastava, Anil,Beanland, Joy,Hall, Robin,Henstock, Vincent,Noula, Caterina,Rockley, Chris,Czaplewski, Lloyd

supporting information; experimental part, p. 3927 - 3936 (2010/09/04)

3-Methoxybenzamide (1) is a weak inhibitor of the essential bacterial cell division protein FtsZ. Alkyl derivatives of 1 are potent antistaphylococcal compounds with suboptimal drug-like properties. Exploration of the structure-activity relationships of analogues of these inhibitors led to the identification of potent antistaphylococcal compounds with improved pharmaceutical properties.

HIV reverse transcriptase inhibitors

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Page/Page column 43, (2010/11/25)

Compounds having the structure: are HIV reverse transcriptase inhibitors, wherein A, X, Y, Z, R1 and R2 are defined herein. The compounds and their pharmaceutically acceptable salts are useful in the inhibition of HIV reverse transcriptase, the prophylaxis and treatment of infection by HIV and in the prophylaxis, delay in the onset, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS

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Page/Page column 337, (2008/06/13)

Novel heterocyclic compounds are described and demonstrated to have utility as Heat Shock Protein 90 (HSP90) inhibiting agent. Method of synthesis and use of such compounds are also described.

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