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BENZOTHIAZOLE-6-CARBOXYLIC ACID (BTCA) is a benzothiazole derivative, which is a white to light yellow crystal powder. It is a chemical compound with potential applications in various fields due to its unique properties.

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  • 3622-35-3 Structure
  • Basic information

    1. Product Name: BENZOTHIAZOLE-6-CARBOXYLIC ACID
    2. Synonyms: BUTTPARK 29\06-35;BENZOTHIAZOLE-6-CARBOXYLIC ACID;6-BENZOTHIAZOLECARBOXYLIC ACID;1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID;1,3-Benzothiazole-6-carboxylic acid, tech;6-Benzothiazolecarboxylicacid(6CI,7CI,8CI,9CI);benzo[d]thiazole-6-carboxylic acid;1,3-Benzothiazole-6-carboxylic acid ,98%
    3. CAS NO:3622-35-3
    4. Molecular Formula: C8H5NO2S
    5. Molecular Weight: 179.2
    6. EINECS: N/A
    7. Product Categories: BENZOTHIAZOLE;Carboxylic Acids;Thiazoles, Isothiazoles &Benzothiazoles;Carboxylic Acids;Thiazoles, Isothiazoles & Benzothiazoles;Building Blocks;Heterocyclic Building Blocks;Thiazoles
    8. Mol File: 3622-35-3.mol
  • Chemical Properties

    1. Melting Point: 245-251 °C(lit.)
    2. Boiling Point: 387.668 °C at 760 mmHg
    3. Flash Point: 188.255 °C
    4. Appearance: White to pale brown/Powder
    5. Density: 1.508 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.732
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.70±0.30(Predicted)
    11. CAS DataBase Reference: BENZOTHIAZOLE-6-CARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: BENZOTHIAZOLE-6-CARBOXYLIC ACID(3622-35-3)
    13. EPA Substance Registry System: BENZOTHIAZOLE-6-CARBOXYLIC ACID(3622-35-3)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 36/37/38-20/21/22
    3. Safety Statements: 26-36-26 37/39
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3622-35-3(Hazardous Substances Data)

3622-35-3 Usage

Uses

Used in Pharmaceutical Industry:
BENZOTHIAZOLE-6-CARBOXYLIC ACID is used as a chemical intermediate for the synthesis of N-(pyridin-4-yl)benzo[d]thiazole-6-carboxamide. BENZOTHIAZOLE-6-CARBOXYLIC ACID has shown potential in inhibiting K1 capsule formation in uropathogenic Escherichia coli, which can lead to the development of new treatments for urinary tract infections.
Used in Analytical Chemistry:
BENZOTHIAZOLE-6-CARBOXYLIC ACID is used as an internal standard during the quantification of benzothiazoles by liquid chromatography-electrospray ionization-tandem mass spectrometry. Its stable and predictable behavior helps in accurately measuring the concentration of benzothiazoles in various samples, which is crucial in quality control and research applications.

Check Digit Verification of cas no

The CAS Registry Mumber 3622-35-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,6,2 and 2 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 3622-35:
(6*3)+(5*6)+(4*2)+(3*2)+(2*3)+(1*5)=73
73 % 10 = 3
So 3622-35-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)

3622-35-3 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H31868)  Benzothiazole-6-carboxylic acid, 96%   

  • 3622-35-3

  • 1g

  • 434.0CNY

  • Detail
  • Alfa Aesar

  • (H31868)  Benzothiazole-6-carboxylic acid, 96%   

  • 3622-35-3

  • 5g

  • 1441.0CNY

  • Detail
  • Alfa Aesar

  • (H31868)  Benzothiazole-6-carboxylic acid, 96%   

  • 3622-35-3

  • 25g

  • 4519.0CNY

  • Detail
  • Aldrich

  • (530336)  Benzothiazole-6-carboxylicacid  96%

  • 3622-35-3

  • 530336-25G

  • 4,464.72CNY

  • Detail

3622-35-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-Benzothiazole-6-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1,3-benzothiazole-6-carboxylic acid

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:3622-35-3 SDS

3622-35-3Relevant articles and documents

FIBROSIS INHIBITOR

-

, (2008/06/13)

Medicament being useful as a fibrosis inhibitor for organs or tissues, which comprises a compound of the formula (I): wherein Ring Z is optionally substituted pyrrole ring, etc.; W2 is -CO-, -SO2-, optionally substituted C1-C4 alkylene, etc.; Ar2 is optionally substituted aryl, etc.; W1 and Ar1 mean the following (1) and (2):(1) W1 is optionally substituted C1-C4 alkylene, etc.; Ar1 is optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms:(2) W1 is optionally substituted C2-C5 alkylene, optionally substituted C2-C5 alkenylene, etc.; and Ar1 is aryl or monocyclic heteroaryl, which is substituted by carboxyl, alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W1, or a pharmaceutically acceptable salt thereof.

Pyrrole derivatives

-

, (2008/06/13)

Pyrrole derivatives represented by the following formula: wherein Ring Z is an optionally substituted pyrrole ring, etc.; W2 is —CO—, —SO2—, an optionally substituted C1-C4 alkylene, etc.; Ar2 is an optionally substituted aryl, etc.; W2 and Ar1 mean the following (1) and (2): (1) W1 is an optionally substituted C1-C4 alkylene, etc.; Ar1 is an optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W1 is an optionally substituted C2-C5 alkylene, an optionally substituted C2-C5 alkenylene, etc.; and Ar1 is an aryl or monocyclic heteroaryl, which are substituted by carboxyl, an alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W1, or a pharmaceutically acceptable salt thereof These compounds are useful as medicaments such as a fibrosis inhibitor for organs or tissues.

PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS

-

, (2008/06/13)

Compounds of the Formula I: STR1 useful in the treatment of thrombin and trypsin related disorders.

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