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4-Carboxyisothiazole is a heterocyclic chemical compound with the molecular formula C4H3NOS2. It features a five-membered ring structure composed of three carbon atoms, one nitrogen atom, one oxygen atom, and one sulfur atom. 4-Carboxyisothiazole has garnered interest in the field of medicinal chemistry due to its capacity to enhance enzyme catalysis and its distinctive reactivity with biological molecules. It serves as a valuable building block in the synthesis of pharmaceuticals and is being investigated as a potential inhibitor of specific biological processes. Ongoing research and development efforts are focused on uncovering the full potential of 4-Carboxyisothiazole and its derivatives in drug discovery and various chemical and biological research domains.

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  • 822-82-2 Structure
  • Basic information

    1. Product Name: 4-Carboxyisothiazole
    2. Synonyms: 4-Carboxyisothiazole;Isothiazole-4-carboxylicacid;1,2-thiazole-4-carboxylic acid
    3. CAS NO:822-82-2
    4. Molecular Formula: C4H3NO2S
    5. Molecular Weight: 129.14
    6. EINECS: N/A
    7. Product Categories: API intermediates
    8. Mol File: 822-82-2.mol
  • Chemical Properties

    1. Melting Point: 162 °C
    2. Boiling Point: 175.82 °C at 760 mmHg
    3. Flash Point: 60.134 °C
    4. Appearance: /
    5. Density: 1.525 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 3.47±0.22(Predicted)
    10. CAS DataBase Reference: 4-Carboxyisothiazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-Carboxyisothiazole(822-82-2)
    12. EPA Substance Registry System: 4-Carboxyisothiazole(822-82-2)
  • 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: 822-82-2(Hazardous Substances Data)

822-82-2 Usage

Uses

Used in Medicinal Chemistry:
4-Carboxyisothiazole is utilized as a key building block in the synthesis of pharmaceuticals for its ability to promote enzyme catalysis and interact uniquely with biological molecules. Its unique structure and reactivity make it a promising candidate for the development of new drugs.
Used in Drug Discovery:
As a potential inhibitor of certain biological processes, 4-Carboxyisothiazole is employed in drug discovery to explore its efficacy in modulating specific pathways or targets within the biological system. This application is crucial for identifying new therapeutic agents that can address unmet medical needs.
Used in Chemical Research:
4-Carboxyisothiazole is also used as a subject of study in chemical research to understand its properties, reactivity, and potential applications beyond medicinal chemistry. This research aids in expanding the knowledge of heterocyclic compounds and their role in various chemical reactions and processes.
Used in Biological Research:
In biological research, 4-Carboxyisothiazole is applied to investigate its interactions with biological molecules and its impact on biological processes. This helps in understanding the compound's potential as a modulator or inhibitor in biological systems, which is essential for its use in therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 822-82-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,2 and 2 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 822-82:
(5*8)+(4*2)+(3*2)+(2*8)+(1*2)=72
72 % 10 = 2
So 822-82-2 is a valid CAS Registry Number.

822-82-2SDS

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 Isothiazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1,2-thiazole-4-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:822-82-2 SDS

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