Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Basic Information

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CAS Number

72850-79-4

Molecular Formula

C7H5BrF3NO2S

Molecular Weight

304.09 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

303.561 ℃ at 760 mmHg

Density

1.725

Flash Point

137.389℃

Refractive Index

1.5

SMILES

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CCOC(=O)C1=C(N=C(S1)Br)C(F)(F)F

InChI

InChI=1S/C7H5BrF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3

InChIKey

XPAISTXWPBHIMZ-UHFFFAOYSA-N

LogP

3.1011000000000006

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

251

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005072668
BB 0259738
J-520716
5-Thiazolecarboxylicacid,2-bromo-4-(trifluoromethyl)-,ethyl ester
DTXSID20534554
Ethyl 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
2-bromo-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester
FT-0602646
SCHEMBL299362
AC-7165
SY004495
FC-0727
5-Thiazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester
A866192
Ethyl2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate
AMY310
Ethyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate
EN300-339441
ethyl 2-bromo-4-trifluoromethyl-1,3-thiazole-5-carboxylate
72850-79-4
MFCD08166749
2-Bromo-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester
A816888
ethyl 2-bromanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
2-bromo-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester
ethyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate
AB43576
CS-0067908
2-Bromo-4-trifluoromethylthiazole-5-carboxylic acid ethyl ester
Ethyl 2-Bromo-4-Trifluoromethyl-5-Thiazolecarboxylate
2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

MDL Number

MFCD08166749

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS: 72850-79-4)?

Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is a white to off-white crystalline solid with a high molecular weight. It has low water solubility but is soluble in organic solvents. The compound is known for its poor reactivity in most conditions, but it can undergo nucleophilic substitution reactions under certain conditions. Its physical properties include a melting point around 125-127°C and a density of approximately 1.35 g/cm³.

How is Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS: 72850-79-4) typically synthesized?

Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate can be synthesized via a multi-step process. One common route involves the reaction of 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid with ethyl bromide in the presence of a base, such as triethylamine, and a phase transfer catalyst. This method provides high chemical yield and good selectivity for the desired product.

What industries use Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS: 72850-79-4)?

Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is used in various industries, particularly in pharmaceuticals and fine chemicals. It serves as a valuable intermediate in the synthesis of complex organic molecules and pharmaceuticals. Additionally, it finds applications in the production of functional polymers and as a reagent in analytical chemistry for the development of new detection methods.

What precautions should be taken when handling Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS: 72850-79-4)?

When handling Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry, and well-ventilated area, away from direct sunlight and sources of ignition. In case of a spill, it should be handled with a fume hood and appropriate absorbent materials, and the area should be thoroughly cleaned with water and detergent. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.