6-(Trifluoromethyl)nicotinic acid(CAS: 231291-22-8)

CAS Number
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Basic Information
Molecular Formula
C7H4F3NO2
Molecular Weight
191.11 g/mol
Physical Properties
Melting Point
194.0 to 199.0 deg-C
Boiling Point
259.3℃ at 760 mmHg
Density
1.4840
Flash Point
110.6℃
Chemical Identifiers
SMILES
C1=CC(=NC=C1C(=O)O)C(F)(F)F
InChIKey
JNYLMODTPLSLIF-UHFFFAOYSA-N
Database References
MDL Number
MFCD00792430
FAQ
6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8) is a white crystalline solid with a molecular weight of approximately 248.12 g/mol. It has a pKa of about 2.3, indicating it is a weak acid. The compound is slightly soluble in water and soluble in organic solvents such as ethanol and acetonitrile. It is chemically stable under normal conditions but should be stored in a dry, sealed container to prevent moisture absorption.
6-(Trifluoromethyl)nicotinic acid can be synthesized by the trifluoromethylation of nicotinic acid. This reaction typically involves treating nicotinic acid with trifluoromethyl triflate in the presence of a base like sodium hydride or potassium tert-butoxide. The process yields a high purity product with a yield of up to 75-80%. Additional purification steps such as recrystallization from methanol or ethanol may be required to achieve the desired crystalline form.
6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the polymer industry as an additive to enhance properties like heat resistance and stability. Additionally, it finds applications in sensor technology and as a precursor in the preparation of organic semiconductor materials.
What precautions should be taken when handling 6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8)?
When handling 6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or 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 information. Storage should be in a cool, dry place, away from moisture and direct sunlight.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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