6-(Trifluoromethyl)-2-pyridinecarboxylic acid

Basic Information

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CAS Number

131747-42-7

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

No data available

Melting Point

155.0 to 159.0 deg-C

Boiling Point

263°C at 760 mmHg

Density

1.484

Flash Point

112.8±27.3 °C

Refractive Index

1.476

SMILES

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

InChI

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

InChIKey

OKBHXGBLXDNJJD-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

H302 Harmful if swallowed
Acute toxicity, oral

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

A2763
6-(Trifluoromethyl)pyridine-2-carboxylic acid, 97%
W-205369
6-trifluoromethyl-2-pyridinecarboxylic acid
SY023407
Z1201621669
131747-42-7
BCP28159
6-(trifluoromethyl)picolinic acid;6-(Trifluoromethyl)pyridine-2-carboxylic Acid
AC-23039
EN300-96296
FS-2389
6-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYLIC ACID
6-Trifluoromethylpyridine-2-carboxylic acid
2-Pyridinecarboxylic acid, 6-(trifluoromethyl)-
MFCD02180819
2-Trifluoromethyl-6-pyridinecarboxylic acid
AB11449
AKOS005063820
FT-0649977
DTXSID30563698
6-(Trifluoromethyl)pyridine-2-carboxylic acid
T3270
6-TRIFLUOROMETHYL-PYRIDINE-2-CARBOXYLIC ACID
6-(trifluoromethyl)picolinic acid
CS-W007960
AM20050763
SCHEMBL496206
6-(Trifluoromethyl)picolinic acid
6-(Trifluoromethyl)-2-pyridinecarboxylic Acid
2-TRIFLUOROMETHYL-6-PYRIDINECARBOXYLIC ACID

MDL Number

MFCD02180819

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 6-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 131747-42-7)?

6-(Trifluoromethyl)-2-pyridinecarboxylic acid is a white crystalline solid with a molecular weight of 248.08 g/mol. It has a pKa of 2.9 and is slightly soluble in water. This compound exhibits good stability in neutral and acidic solutions but is reactive in basic conditions. It is commonly used as a precursor in organic synthesis due to its high reactivity and unique electronic properties.

How is 6-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 131747-42-7) typically synthesized?

6-(Trifluoromethyl)-2-pyridinecarboxylic acid is typically synthesized via the oxidation of 6-(trifluoromethyl)-2-pyridinecarbaldehyde. The reaction is catalyzed by osmium tetroxide and proceeds under anhydrous conditions. The yield is around 80% and the product is isolated by recrystallization from an appropriate solvent.

What industries use 6-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 131747-42-7)?

6-(Trifluoromethyl)-2-pyridinecarboxylic acid finds applications in multiple industries including pharmaceuticals, where it serves as a precursor for drug synthesis; polymers, where it is used in the development of advanced materials; and semiconductor manufacturing, where it plays a role in etching processes. Its unique chemical properties make it valuable in these sectors.

What precautions should be taken when handling 6-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 131747-42-7)?

When handling 6-(Trifluoromethyl)-2-pyridinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be used in a well-ventilated area or fume hood due to its volatility. In case of a spill, it is recommended to clean up with appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further instructions. Ensure proper storage in a cool, dry place away from oxidizing agents.