2-(Trifluoromethyl)nicotinic acid

Basic Information

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CAS Number

131747-43-8

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

Physical State

White to Yellow Solid

Melting Point

185.0 to 189.0 deg-C

Boiling Point

259.9±40.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Flash Point

111℃

Refractive Index

1.475

SMILES

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C1=CC(=C(N=C1)C(F)(F)F)C(=O)O

InChI

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

InChIKey

BFROETNLEIAWNO-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

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FT-0600178
MFCD01862052
BH-0434
2-Trifluoromethylnicotinic acid
131747-43-8
AM20050764
2-(Trifluoromethyl)pyridine-3-carboxylic acid
2-Trifluoromethylnicotinicacid
2-trifluormethyl nicotinic acid
2-(Trifluoromethyl)pyridine-3-carboxylic acid, 96%
3-PYRIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-
trifluoromethylnicotinic acid
CS-W002847
EN300-36127
2-(trifluoromethyl)-3-pyridinecarboxylic acid
3-Pyridinecarboxylic acid,2-(trifluoromethyl)-
AKOS005063819
2-(Trifluoromethyl) Nicotinic Acid
2-Trifluoromethyl-pyridine-3-carboxylic acid
SY017968
2-(Trifluoromethyl)nicotinic acid
A2764
Z255150388
AC-1100
T3132
SCHEMBL413572
DTXSID00380556
W-205370
2-trifluoromethyl nicotinic acid
BCP12623
2-(Trifluoromethyl)nicotinic Acid

MDL Number

MFCD01862052

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-(Trifluoromethyl)nicotinic acid (CAS: 131747-43-8)?

2-(Trifluoromethyl)nicotinic acid is a white crystalline solid with a molecular weight of approximately 242.12 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetonitrile. This compound is highly reactive, particularly in nucleophilic substitution reactions. It forms stable crystalline forms suitable for various applications in pharmaceuticals and materials science.

How is 2-(Trifluoromethyl)nicotinic acid (CAS: 131747-43-8) typically synthesized?

2-(Trifluoromethyl)nicotinic acid can be synthesized through the trifluoromethylation of nicotinic acid using reagents such as triflic anhydride. Common methods include nucleophilic substitution reactions in the presence of appropriate bases. The synthesis typically yields a high percentage of the desired product with good selectivity.

What industries use 2-(Trifluoromethyl)nicotinic acid (CAS: 131747-43-8)?

2-(Trifluoromethyl)nicotinic acid is utilized in various industries, particularly in pharmaceuticals for its role as a precursor in the synthesis of biologically active compounds. It also finds applications in the preparation of materials for sensors and advanced polymers due to its unique chemical properties.

What precautions should be taken when handling 2-(Trifluoromethyl)nicotinic acid (CAS: 131747-43-8)?

When handling 2-(Trifluoromethyl)nicotinic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and proper disposal methods should be followed. Refer to the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.