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6-Benzothiazolecarboxaldehyde(8CI,9CI), with the molecular formula C9H7NOS, is a yellow-brown liquid chemical compound known for its strong and unpleasant odor. It serves as a versatile building block in the synthesis of a variety of organic compounds, particularly within the pharmaceutical and agrochemical sectors. 6-Benzothiazolecarboxaldehyde(8CI,9CI) also finds use in the creation of flavorings and fragrances for perfumes and other consumer products, as well as in the production of dyes, pigments, and rubber chemicals. Due to its potential to cause irritation to the skin, eyes, and respiratory system, careful handling is advised.

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  • 19989-67-4 Structure
  • Basic information

    1. Product Name: 6-Benzothiazolecarboxaldehyde(8CI,9CI)
    2. Synonyms: 6-Benzothiazolecarboxaldehyde(8CI,9CI);6-Benzothiazolecarboxaldehyde;6-Formylbenzothiazole;1,3-Benzothiazole-6-carboxaldehyde, 97%;6-Benzothiazolecarboxaldehyd;Benzo[d]thiazole-6-carbaldehyde;1,3-Benzothiazole-6-carbaldehyde
    3. CAS NO:19989-67-4
    4. Molecular Formula: C8H5NOS
    5. Molecular Weight: 163.2
    6. EINECS: N/A
    7. Product Categories: BENZOTHIAZOLE
    8. Mol File: 19989-67-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 311.4 °C at 760 mmHg
    3. Flash Point: 142.1 °C
    4. Appearance: White to yellow to brown/Crystalline Powder or Low Melting Solid
    5. Density: 1.384
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: -0.32±0.10(Predicted)
    10. CAS DataBase Reference: 6-Benzothiazolecarboxaldehyde(8CI,9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 6-Benzothiazolecarboxaldehyde(8CI,9CI)(19989-67-4)
    12. EPA Substance Registry System: 6-Benzothiazolecarboxaldehyde(8CI,9CI)(19989-67-4)
  • 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: 19989-67-4(Hazardous Substances Data)

19989-67-4 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
6-Benzothiazolecarboxaldehyde(8CI,9CI) is utilized as a key intermediate in the synthesis of various organic compounds, playing a crucial role in the development of new pharmaceuticals and agrochemicals. Its chemical properties make it a valuable component in the creation of innovative and effective products in these industries.
Used in Flavoring and Fragrance Industry:
As a flavoring and fragrance ingredient, 6-Benzothiazolecarboxaldehyde(8CI,9CI) contributes to the unique scents and tastes in the production of perfumes and other consumer products, enhancing the sensory experience of these goods.
Used in Dye and Pigment Manufacturing:
6-Benzothiazolecarboxaldehyde(8CI,9CI) is employed in the manufacturing process of dyes and pigments, where its chemical structure contributes to the color and stability of the final products, meeting the demands of various applications.
Used in Rubber Chemical Production:
In the rubber industry, 6-Benzothiazolecarboxaldehyde(8CI,9CI) serves as a vital component in the production of rubber chemicals, which are essential for improving the performance and durability of rubber products.

Check Digit Verification of cas no

The CAS Registry Mumber 19989-67-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,9,9,8 and 9 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 19989-67:
(7*1)+(6*9)+(5*9)+(4*8)+(3*9)+(2*6)+(1*7)=184
184 % 10 = 4
So 19989-67-4 is a valid CAS Registry Number.

19989-67-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-benzothiazole-6-carbaldehyde

1.2 Other means of identification

Product number -
Other names 1,3-benzothiazole-6-carboxyaldehyde

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:19989-67-4 SDS

19989-67-4Relevant articles and documents

SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS

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Paragraph 00368-00369, (2015/05/19)

The present invention relates to novel spiro-oxadiazoline compounds that are suitable as agonists or partial agonists of a7-nAChR, and pharmaceutical compositions of the same, methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering a spiro-oxadiazoline cx7-nAChR agonist or partial agonist, to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

NONPEPTIDIC INHIBITORS OF CRUZAIN

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Page/Page column 49; 51, (2009/07/17)

Cruzain is the major cysteine protease of T. cruzi, which is the causative agent of Chagas' disease and is a promising target for the development of new chemotherapy. With the goal of developing potent nonpeptidic inhibitors of cruzain, the Substrate Activity Screening (SAS) method was used to screen a library of protease substrates initially designed to target the homologous human protease cathepsin S. Structure-based design was next used to further improve substrate cleavage efficiency by introducing additional binding interactions in the S3 pocket of cruzain. The optimized substrates were then converted to inhibitors by the introduction of cysteine protease mechanism-based pharmacophores. Inhibitor (38) was determined to be reversible even though it incorporated the vinyl sulfone pharmacophore that is well documented to give irreversible cruzain inhibition for peptidic inhibitors. The previously unexplored β-chloro vinyl sulfone pharmacophore provided mechanistic insight that led to the development of potent irreversible acyl- and aryl- oxymethyl ketone cruzain inhibitors. For these inhibitors, potency did not solely depend on leaving group pTa, with 2,3,5,6-tetrafluorophenoxy methyl ketone (54) identified as one of the most potent inhibitors with a second order inactivation constant of 147,000 s-1M-1. This inhibitor completely eradicated the T. cruzi parasite from mammalian cell cultures and consequently has the potential to lead to new chemo therapeutics for Chagas' disease.

Identification of a new class of nonpeptidic inhibitors of cruzain

Brak, Katrien,Doyle, Patricia S.,McKerrow, James H.,Ellman, Jonathan A.

, p. 6404 - 6410 (2008/12/22)

Cruzain is the major cysteine protease of Trypanosoma cruzi, which is the causative agent of Chagas disease and is a promising target for the development of new chemotherapy. With the goal of developing potent nonpeptidic inhibitors of cruzain, the substrate activity screening (SAS) method was used to screen a library of protease substrates initially designed to target the homologous human protease cathepsin S. Structure-based design was next used to further improve substrate cleavage efficiency by introducing additional binding interactions in the S3 pocket of cruzain. The optimized substrates were then converted to inhibitors by the introduction of cysteine protease mechanism-based pharmacophores. Inhibitor 38 was determined to be reversible even though it incorporated the vinyl sulfone pharmacophore that is well documented to give irreversible cruzain inhibition for peptidic inhibitors. The previously unexplored β-chloro vinyl sulfone pharmacophore provided mechanistic insight that led to the development of potent irreversible acyl- and aryl-oxymethyl ketone cruzain inhibitors. For these inhibitors, potency did not solely depend on leaving group pKa, with 2,3,5,6- tetrafluorophenoxymethyl ketone 54 identified as one of the most potent inhibitors with a second-order inactivation constant of 147,000 s-1 M-1. This inhibitor completely eradicated the T. cruzi parasite from mammalian cell cultures and consequently has the potential to lead to new chemotherapeutics for Chagas disease.

AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES

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Page 69, (2008/06/13)

The present invention is related to azolidinedione-vinyl fused-benzene derivatives of formula (I) for the treatment and/or prophylaxis of autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, graft rejection or lung injuries. Formula (I), wherein A, X, Y, Z, R1 , R2 and n are as described in the description.

ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES

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Page/Page column 80, (2008/06/13)

The compounds of the present invention are of formula (I): wherein A, R3, R4 is as defined herein, are useful as ligands for nicotinic receptors.

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