Methyl 2-chloro-1,3-thiazole-4-carboxylate

Basic Information

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CAS Number

850429-61-7

Molecular Formula

C5H4ClNO2S

Molecular Weight

177.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Solid

Melting Point

90-94°C

Boiling Point

271.2℃ at 760 mmHg

Density

1.456

Flash Point

117.8°C

Refractive Index

1.559

SMILES

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COC(=O)c1csc(n1)Cl

InChI

InChI=1S/C5H4ClNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3

InChIKey

PZLJTHDJLAXFAW-UHFFFAOYSA-N

LogP

1.5831

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

144

Safety Information

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Hazard Statement

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

Methyl 2-chloro-4-thiazolecarboxylate
C5H4ClNO2S
methyl 2-chloro-1,3-thiazole-4-carboxylate
Methyl 2-chlorothiazole-4-carboxylate
4-THIAZOLECARBOXYLICACID, 2-CHLORO-, METHYL ESTER
methyl 2-chlorothiazole-5-carboxylate

MDL Number

MFCD06659909

Customs Code

2934100090

FAQ

What regulatory guidelines apply to Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7)?

Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7) falls under the scope of the REACH regulations in the European Union, which requires manufacturers and importers to register substances above a certain tonnage. Additionally, it is classified under the Globally Harmonized System (GHS) as a hazardous substance, and may be regulated by the EPA and FDA in the United States for specific applications in pharmaceuticals and pesticides.

Are there alternatives to Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7) in synthesis?

Yes, alternatives such as methyl 2-bromo-1,3-thiazole-4-carboxylate or methyl 2-iodo-1,3-thiazole-4-carboxylate can be used as substitutes in synthesis. These compounds offer similar functional groups and can serve as precursors in various chemical reactions, offering potential advantages in terms of reactivity and stability.

What is the market or research trend for Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7)?

The market for Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7) is growing due to its applications in the synthesis of pharmaceuticals and agrochemicals. Research is focusing on its use as a key intermediate in the development of new drugs and pesticides. The trend indicates increasing demand for this compound, driven by the growing number of potential synthetic routes and its effectiveness in various chemical transformations.

How should waste containing Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7) be handled?

Waste containing Methyl 2-chloro-1,3-thiazole-4-carboxylate (CAS: 850429-61-7) should be collected in a sealed container and disposed of through a professional hazardous waste disposal service. It is important to follow local regulations for hazardous waste management, which may include neutralization or incineration. Environmental protection precautions include proper containment to prevent leakage and ensure the safety of handlers and the environment.