5-(Trifluoromethyl)-2-pyridinecarboxylic acid

Basic Information

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CAS Number

80194-69-0

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

Yellow to Brown Solid

Melting Point

133-137 °C

Boiling Point

273.738°C at 760 mmHg

Density

1.485

Water Solubility

Slightly soluble in water.

Flash Point

119.353°C

Refractive Index

1.475

SMILES

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

InChI

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

InChIKey

NJHGVAYLDHROPT-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

A9947
AR2108
SY015455
MFCD04113632
AB01325306-02
NCGC00331098-01
5-(trifluoromethyl)-pyridine-2-carboxylic acid
5-(trifluoromethyl)picolinic acid
2-PYRIDINECARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-
DTXSID40448028
BCP20008
5-(trifluoromethyl)pyridine-2-carboxylic Acid
5-trifluoromethyl-pyridine-2-carboxylic acid
AM20061518
5-Trifluoromethyl-2-pyridinecarboxylic acid
5-(Trifluoromethyl)pyridine-2-carboxylic acid, 95%
5-(trifluoromethyl)picolinic acid;5-(Trifluoromethyl)pyridine-2-carboxylic acid
CS-W008670
AKOS005072643
5-trifluoromethylpyridine-2-carboxylic acid
Z235344883
AC-24947
FT-0650009
80194-69-0
AB17699
5-(Trifluoromethyl)-2-pyridinecarboxylic acid
T2975
EN300-27612
J-516457
FC-0609
SCHEMBL211804

MDL Number

MFCD04113632

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-69-0)?

5-(Trifluoromethyl)-2-pyridinecarboxylic acid has a crystalline form at room temperature with a molecular weight of approximately 217.08 g/mol. It is slightly soluble in water but soluble in organic solvents. This compound is known for its high reactivity, particularly towards nucleophilic substitution reactions. It reacts readily with amines and alcohols to form amides and esters, respectively.

How is 5-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-69-0) typically synthesized?

5-(Trifluoromethyl)-2-pyridinecarboxylic acid is typically synthesized via the Friedel-Crafts acylation of 2-pyridinecarboxylic acid with trifluoroacetyl chloride in the presence of aluminum chloride as a catalyst. This process provides a high yield and good selectivity for the trifluoromethyl substitution.

What industries use 5-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-69-0)?

5-(Trifluoromethyl)-2-pyridinecarboxylic acid is used in various industries including pharmaceuticals for the synthesis of drug candidates, in polymers for the development of advanced materials, and in sensors for their high sensitivity to certain chemical compounds. It is also used in the semiconductor industry for etching processes.

What precautions should be taken when handling 5-(Trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-69-0)?

When handling 5-(Trifluoromethyl)-2-pyridinecarboxylic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats to prevent skin and eye contact. Work should be performed in a well-ventilated area, ideally in a fume hood, to avoid inhalation. In case of a spill, immediately clean it up with appropriate absorbents and follow the safety data sheet (SDS) for disposal instructions.