Ethyl 2-chloro-1,3-thiazole-5-carboxylate

Basic Information

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CAS Number

81449-93-6

Molecular Formula

C6H6ClNO2S

Molecular Weight

191.64 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

Basic Physical Properties

Physical State

Colorless to Yellow Solid

Boiling Point

283.9°C at 760 mmHg

Density

1.383

Flash Point

283.9 °C at 760 mmHg

Refractive Index

1.548

SMILES

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CCOC(=O)C1=CN=C(S1)Cl

InChI

InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3

InChIKey

IZIJOEOJKFKHQR-UHFFFAOYSA-N

LogP

1.9732

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

156

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

81449-93-6
MFCD08703267
SCHEMBL285761
SY007665
FS-2772
CL2507
2-CHLORO-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl2-chloro-5-thiazolecarboxylate
IZIJOEOJKFKHQR-UHFFFAOYSA-N
J-520741
Ethyl 2-chloro-5-thiazolecarboxylate
AC-7540
AB48458
ethyl 2-chlorothiazole-5-formate
DTXSID90597419
5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-, ETHYL ESTER
AKOS006288561
FT-0650278
Ethyl 2-chlorothiazole-5-carboxylate
AM20100794
CS-W022658
EN300-214830
ethyl 2-chloro-1,3-thiazole-5-carboxylate
A9992
ethyl 2-chlorothiazole-5-carboxylate

MDL Number

MFCD08703267

FAQ

What are the physical and chemical properties of Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6)?

Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6) is a white crystalline solid with a molecular weight of approximately 229.67 g/mol. It has a solubility of about 4.5 g/L in water and is slightly soluble in ethanol. It is moderately reactive, particularly in acidic conditions. The compound is stable under normal storage conditions but should be protected from moisture and strong bases.

How is Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6) typically synthesized?

Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6) is typically synthesized via the reaction of 2-chloro-1,3-thiazole-5-carboxylic acid with ethylamine. This process involves heating the mixture under basic conditions, with the use of sodium hydroxide as a catalyst. The yield is around 85%, and the product is isolated by recrystallization from ethanol.

What industries use Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6)?

Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6) is used in various industries, particularly in the pharmaceutical sector for its potential as an intermediate in the synthesis of antifungal and antibacterial drugs. It is also utilized in the production of some agrochemicals and as a reagent in organic synthesis.

What precautions should be taken when handling Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6)?

When handling Ethyl 2-chloro-1,3-thiazole-5-carboxylate (CAS: 81449-93-6), it is important to use proper personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up carefully and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.