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CAS

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139331-42-3

2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE is a synthetic chemical compound featuring a benzothiazine scaffold with a chloromethyl group. It is recognized for its potential in pharmaceuticals and agrochemicals due to its versatile chemical properties, which allow for the creation of analogues with diverse biological activities. 2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE is particularly notable in medicinal chemistry for its role as a precursor in the development of new drugs, especially in the realms of antimicrobial and antitubercular therapies. Its reactivity and adaptability also render it an essential building block in the synthesis of innovative molecules within organic chemistry.

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  • 139331-42-3 Structure

  • Basic information

    1. Product Name: 2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
    2. Synonyms: 2-(ChloroMethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
    3. CAS NO:139331-42-3
    4. Molecular Formula: C9H8ClNOS
    5. Molecular Weight: 213.68
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 139331-42-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 410.5°Cat760mmHg
    3. Flash Point: 202°C
    4. Appearance: /
    5. Density: 1.329g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.6
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE(139331-42-3)
    12. EPA Substance Registry System: 2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE(139331-42-3)

  • 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: 139331-42-3(Hazardous Substances Data)

139331-42-3 Usage

Uses

Used in Pharmaceutical Industry:
2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE is used as a starting material for the development of new drugs, leveraging its benzothiazine structure and chloromethyl group for the creation of analogues with enhanced antimicrobial and antitubercular properties. Its potential in medicinal chemistry is attributed to the ability to modify its structure to target specific biological pathways and diseases.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE is utilized as a chemical intermediate for the synthesis of compounds with pesticidal or herbicidal activities. Its reactivity and structural features make it suitable for the development of effective agents against various agricultural pests and weeds, contributing to crop protection and yield enhancement.
Used in Organic Chemistry Research:
2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE serves as a valuable building block in organic chemistry, where it is employed for the synthesis of novel molecules with unique properties. Its versatility in chemical reactions facilitates the exploration of new chemical space and the discovery of innovative compounds with potential applications across various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 139331-42-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,9,3,3 and 1 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 139331-42:
(8*1)+(7*3)+(6*9)+(5*3)+(4*3)+(3*1)+(2*4)+(1*2)=123
123 % 10 = 3
So 139331-42-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H8ClNOS/c10-5-8-9(12)11-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,11,12)

139331-42-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(chloromethyl)-4H-1,4-benzothiazin-3-one

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:139331-42-3 SDS

139331-42-3Relevant articles and documents

Synthesis and biological activities of new 1,4-benzothiazine derivatives

Kajino,Mizuno,Tawada,Shibouta,Nishikawa,Meguro

, p. 2888 - 2895 (2007/10/02)

New 2H-1,4-benzothiazin-3(4H)-one derivatives possessing (4-phenyl-1-piperazinyl)alkyl moieties at the 2-position were synthesized and tested for calcium antagonistic and calmodulin antagonistic activities. Antihypertensive effects in spontaneously hypertensive rats were also evaluated. In general, these compounds were rather weak calcium channel blockers, although, in contrast, many of them had moderate to potent calmodulin antagonistic activity, and 2-[3-(4-(4-fluorophenyl)-1-piperazinyl]propyl]-2H-1,4-benzothiazin-3(4H )-one derivatives 45, 74 and 75 showed potent antihypertensive effects.

1,4-benzothiazine derivatives, compositions containing them and method of use

-

, (2008/06/13)

1,4-Benzothiazine derivatives of the formula; STR1 wherein R1 and R2 independently stand for hydrogen, halogen, a lower alkyl group, a lower alkoxy group or trifluoromethyl group, or R1 and R2, taken together, f

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