4-(Trifluoromethyl)-2-pyridinecarboxylic acid

Basic Information

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CAS Number

588702-62-9

Molecular Formula

C7H4F3NO2

Molecular Weight

191.11 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

157-162 °C

Boiling Point

293.6 °C at 760 mmHg

Density

1.484

Flash Point

293.6 °C at 760 mmHg

Refractive Index

1.475

SMILES

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C1=CN=C(C=C1C(F)(F)F)C(=O)O

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13)

InChIKey

BPRWTROIQXSSOC-UHFFFAOYSA-N

LogP

1.7986000000000002

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

204

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

F11772
Z1170449933
4-(Trifluoromethyl)pyridine-2-carboxylic acid
SCHEMBL222146
AKOS005072810
4-trifluoromethyl-pyridine-2-carboxylic acid
FD-0739
BCP01498
4-(Trifluoromethyl)pyridine-2-carboxylicacid
J-513930
SY023054
A15671
BDBM50517252
FT-0649998
4-(trifluoromethyl)picolinic acid;4-(Trifluoromethyl)pyridine-2-carboxylic Acid
DTXSID20476006
EN300-84904
4-(Trifluoromethyl)-2-pyridinecarboxylic acid
588702-62-9
CS-W015853
AC-24545
AMY3179
4-(Trifluoromethyl)picolinicacid
CHEMBL4457121
4-(Trifluoromethyl)-picolinic acid
AB41993
4-(Trifluoromethyl)pyridine-2-carboxylic acid, 97%
MFCD07438043
4-(Trifluoromethyl)picolinic acid
2-PYRIDINECARBOXYLIC ACID, 4-(TRIFLUOROMETHYL)-
4-(trifluoromethyl) pyridine-2-carboxylic acid

MDL Number

MFCD07438043

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 588702-62-9)?

4-(Trifluoromethyl)-2-pyridinecarboxylic acid is a crystalline solid with a molecular weight of approximately 218.09 g/mol. It has a low solubility in water but is soluble in common organic solvents such as ethanol and acetonitrile. The compound is relatively stable under normal conditions but can undergo hydrolysis in the presence of moisture. It has a pKa of around 4.5, indicating some acidity.

How is 4-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 588702-62-9) typically synthesized?

4-(Trifluoromethyl)-2-pyridinecarboxylic acid can be synthesized via a multi-step process involving the coupling of 2-bromopyridine with trifluoromethyl ketone followed by hydrolysis. The synthesis typically requires the use of catalytic amounts of a transition metal catalyst such as palladium and a base like triphenylphosphine. The product is obtained with good yield and selectivity.

What industries use 4-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 588702-62-9)?

4-(Trifluoromethyl)-2-pyridinecarboxylic acid is widely used in the pharmaceutical industry for the synthesis of complex molecules and intermediates. It is also utilized in the polymer industry as a monomer or additive, and in the semiconductor industry as a component in etching processes. Additionally, it plays a role in the development of sensors and other advanced materials.

What precautions should be taken when handling 4-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 588702-62-9)?

When handling 4-(Trifluoromethyl)-2-pyridinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, chemical goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up promptly using appropriate absorbent materials, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.