1,3-Thiazole-5-carboxylic acid

Basic Information

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CAS Number

14527-41-4

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

Physical State

White to Yellow Solid

Melting Point

190-198°C

Boiling Point

319.2°C at 760 mmHg

Refractive Index

1.61

SMILES

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C1=C(SC=N1)C(=O)O

InChI

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

InChIKey

YZVFSQQHQPPKNX-UHFFFAOYSA-N

LogP

0.8412999999999999

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

106

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FT-0637096
YZVFSQQHQPPKNX-UHFFFAOYSA-N
DTXSID40162959
EINECS 238-545-3
CS-W003082
AKOS001283243
Z204146918
PS-5457
AM20080343
SCHEMBL40280
Thiazole-5-carboxylic acid, AldrichCPR
AC-7398
5-Thiazolecarboxylicacid
1,3-thiazole-5-carboxylic acid
Thiazole-5-carboxylic acid
W-200116
GEO-02589
BB 0259225
SY006027
T2495
EN300-25461
14527-41-4
MFCD03428539
5-Thiazolecarboxylic acid
AB15430
1,3-Thiazole-5-carboxylic acid
AKOS BB-9162
RARECHEM AL BE 1261
Thiazole-5-carboxylic
5-Carboxy-1,3-thiazole
1,3-Thiazole-5-carboxyic acid

MDL Number

MFCD03428539

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 1,3-Thiazole-5-carboxylic acid (CAS: 14527-41-4)?

1,3-Thiazole-5-carboxylic acid is a white or off-white crystalline solid with a molecular weight of approximately 146.14 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is reactive and can undergo esterification, amidation, and coupling reactions.

How is 1,3-Thiazole-5-carboxylic acid (CAS: 14527-41-4) typically synthesized?

1,3-Thiazole-5-carboxylic acid is commonly synthesized via the reaction of thiosemicarbazide with acetyl chloride or acetic anhydride. This method involves the condensation of thiosemicarbazide with an acylating agent, leading to the formation of the 1,3-thiazole-5-carboxylic acid with good selectivity and yield.

What industries use 1,3-Thiazole-5-carboxylic acid (CAS: 14527-41-4)?

1,3-Thiazole-5-carboxylic acid is used in various industries, particularly in pharmaceuticals for the synthesis of antifungal and antitumor agents, in the development of polymer materials, and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1,3-Thiazole-5-carboxylic acid (CAS: 14527-41-4)?

When handling 1,3-Thiazole-5-carboxylic acid, it is essential to ensure proper personal protective equipment (PPE), such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the Material Safety Data Sheet (MSDS) should be consulted for specific disposal instructions.