1,2-Thiazole-4-carboxylic acid

Basic Information

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CAS Number

822-82-2

Molecular Formula

C4H3NO2S

Molecular Weight

129.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

175.8°C at 760 mmHg

Density

1.525

Flash Point

60.134 °C

SMILES

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OC(=O)c1cnsc1

InChI

InChI=1S/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)

InChIKey

PCXTYKGTWQCNJI-UHFFFAOYSA-N

LogP

0.8412999999999999

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Isothiazole-4-carboxylic acid
1,2-thiazole-4-carboxylic acid
4-Carboxyisothiazole
4-Isothiazolecarboxylicacid

MDL Number

MFCD08704791

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,2-Thiazole-4-carboxylic acid (CAS: 822-82-2)?

1,2-Thiazole-4-carboxylic acid is a crystalline solid with a molecular weight of approximately 148.15 g/mol. It has a pKa of around 3.6, indicating it is a weak acid. The compound is slightly soluble in water but soluble in most organic solvents. Chemically, it is highly reactive towards nucleophiles and can undergo various acid-base reactions.

How is 1,2-Thiazole-4-carboxylic acid (CAS: 822-82-2) typically synthesized?

1,2-Thiazole-4-carboxylic acid can be synthesized through the condensation of thiosemicarbazide with 4-chloroacetyl chloride, followed by hydrolysis. Alternatively, it can be prepared from 2-aminothiazole-4-carboxylic acid using mild acid catalysis. The yield is typically around 70-80%, and the method involves careful control of pH and temperature to ensure selectivity.

What industries use 1,2-Thiazole-4-carboxylic acid (CAS: 822-82-2)?

1,2-Thiazole-4-carboxylic acid is widely used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the production of polymers, specifically in the development of functionalized polymers with enhanced properties. Additionally, it finds applications in the manufacturing of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 1,2-Thiazole-4-carboxylic acid (CAS: 822-82-2)?

When handling 1,2-Thiazole-4-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with caution; sweep up the solid and dispose of it according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for specific safety guidelines.