5-Methyl-2-(trifluoromethyl)-3-furoic acid

Basic Information

View in Editor

CAS Number

17515-74-1

Molecular Formula

C7H5F3O3

Molecular Weight

194.11 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

106-108 ºC

Boiling Point

241.2±40.0 ºC (760 Torr),

Flash Point

99.7±27.3 ºC,

SMILES

View in Editor

CC1=CC(=C(O1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)

InChIKey

NURNFMNHTHXTDS-UHFFFAOYSA-N

LogP

2.30502

Topological Polar Surface Area

50.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

214

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

FT-0620598
5-Methyl-2-(trifluoromethyl)-furan-3-carboxylic acid
DTXSID20381964
SY139191
AM807363
5-methyl-2-(trifluoromethyl)-3-furoic acid, AldrichCPR
SCHEMBL885485
2-trifluoromethyl-5-methyl-3-furoic acid
3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-
A3874
AKOS006228011
SB61119
FS-1442
Z1201620085
17515-74-1
W-206132
5-METHYL-2-(TRIFLUOROMETHYL)-3-FUROIC ACID
5-methyl-2-trifluoromethyl-3-furoic acid
MFCD00275563
EN300-109578
C7H5F3O3
5-methyl-2-trifluoromethylfuran-3-carboxylic acid
CS-0020083
5-methyl-2-(trifluoromethyl)-3-furancarboxylic acid
AC-28137
5-methyl-2-(trifluoromethyl)furan-3-carboxylic Acid
5-Methyl-2-(trifluoromethyl)furan-3-carboxylic acid
3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)-
5-Methyl-2-(trifluoromethyl)-3-furoic acid
2-trifluoromethyl-5-methyl-3-furancarboxylic acid
5-Methyl-2-trifluoromethyl-3-furancarboxylic Acid

MDL Number

MFCD00275563

FAQ

What are the physical and chemical properties of 5-Methyl-2-(trifluoromethyl)-3-furoic acid (CAS: 17515-74-1)?

5-Methyl-2-(trifluoromethyl)-3-furoic acid is a crystalline solid with a molecular weight of approximately 217.06 g/mol. It has a low water solubility, with a maximum solubility of about 0.02 g/100 mL in water at room temperature. The compound is known for its high reactivity, particularly in esterification reactions and its ability to form stable complexes with various metal ions.

How is 5-Methyl-2-(trifluoromethyl)-3-furoic acid (CAS: 17515-74-1) typically synthesized?

5-Methyl-2-(trifluoromethyl)-3-furoic acid is typically synthesized via the condensation of methyl trifluoromethyl ketone with formic acid, followed by a Claisen rearrangement. This process often involves the use of a strong base like potassium tert-butoxide. The yield is generally high, and the reaction is known for its good selectivity.

What industries use 5-Methyl-2-(trifluoromethyl)-3-furoic acid (CAS: 17515-74-1)?

5-Methyl-2-(trifluoromethyl)-3-furoic acid is primarily used in the pharmaceutical industry for the synthesis of certain drug molecules. It is also utilized in the polymer industry for the modification of polymers, and in the semiconductor industry for the fabrication of sensitive electronic components and sensors.

What precautions should be taken when handling 5-Methyl-2-(trifluoromethyl)-3-furoic acid (CAS: 17515-74-1)?

When handling 5-Methyl-2-(trifluoromethyl)-3-furoic acid, it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Store the compound in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.