6-(Trifluoromethyl)nicotinic acid

Basic Information

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CAS Number

231291-22-8

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

194.0 to 199.0 deg-C

Boiling Point

259.3℃ at 760 mmHg

Density

1.4840

Flash Point

110.6℃

Refractive Index

1.475

SMILES

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C1=CC(=NC=C1C(=O)O)C(F)(F)F

InChI

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

InChIKey

JNYLMODTPLSLIF-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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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AC-2460
CS-W009256
YTCFPYOGQUCNEX-UHFFFAOYSA-N
BCP9000188
6-trifluoromethylpyridine-3-carboxylic acid
FT-0644075
6-(Trifluoromethyl)pyridine-3-carboxylic acid
AB01330972-02
2-Trifluoromethyl-5-pyridinecarboxylic acid
DTXSID20380558
BCP22794
6-Trifluoromethyl-nicotinic acid
T2203
AKOS000117978
6-trifluoromethyl nicotinic acid
JNYLMODTPLSLIF-UHFFFAOYSA-O
NSC727682
W-200240
MFCD00792430
6-(Trifluoromethyl)nicotinic acid
NSC-727682
3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-
6-(Trifluoromethyl)nicotinicacid
GEO-02388
HY-66029
A23984
F2191-0125
SY001329
FA-0727
AM20050975
6-Trifluoromethyl

MDL Number

MFCD00792430

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8)?

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.

How is 6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8) typically synthesized?

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.

What industries use 6-(Trifluoromethyl)nicotinic acid (CAS: 231291-22-8)?

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.