2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Basic Information

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CAS Number

117724-63-7

Molecular Formula

C6H4F3NO2S

Molecular Weight

211.16 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

186～187℃

Boiling Point

285.5±40.0 ºC (760 Torr),

Flash Point

126.5±27.3 ºC,

Refractive Index

1.498

SMILES

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CC1=NC(=C(S1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)

InChIKey

REKJPVUFKQYMHW-UHFFFAOYSA-N

LogP

2.16852

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

220

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

Synonyms & References

English

FT-0697380
5-Thiazolecarboxylicacid,2-methyl-4-(trifluoromethyl)-
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid, AldrichCPR
EN300-129545
M3078
DTXSID20363346
5-Thiazolecarboxylic acid, 2-methyl-4-(trifluoromethyl)-
CS-W002467
8F-015
AKOS005071191
SCHEMBL975710
2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylicAcid
SINOMENINEHYDROCHLORIDE
AM20080117
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid
SY014785
117724-63-7
2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid
MFCD00173295
2-methyl-4-trifluoromethylthiazole-5-carboxylic acid
2-Methyl-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid
A24510
AC-25694
BCP14615
J-509975
2-Methyl-4-(trifluoromethyl)-13-thiazole-5-carboxylic acid
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
2-methyl-4-trifluoromethyl-thiazole-5-carboxylic acid
2-Methyl-4-trifluoromethylthiazole-5-carboxylic acid
5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-
Bis(methylglycol) phthalate

MDL Number

MFCD00173295

FAQ

What are the physical and chemical properties of 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CAS: 117724-63-7)?

2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is a crystalline solid with a molecular weight of 269.97 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. It is a weak acid with limited reactivity under normal conditions. This compound is stable under acidic and basic conditions but can be sensitive to strong oxidizing agents.

How is 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CAS: 117724-63-7) typically synthesized?

2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is typically synthesized via the reaction of 2-methylthiazole-4-carboxylic acid with trifluoromethylsulfonyl chloride, followed by hydrolysis. This process involves the use of a phase transfer catalyst and is carried out under mild conditions to achieve good yield and selectivity.

What industries use 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CAS: 117724-63-7)?

2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the sensor technology and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CAS: 117724-63-7)?

When handling 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be handled with caution, and proper disposal procedures should be followed. Always consult the Safety Data Sheet (SDS) for detailed information on handling and safety precautions.