3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid

Basic Information

View in Editor

CAS Number

80194-68-9

Molecular Formula

C7H3ClF3NO2

Molecular Weight

225.55 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

Basic Physical Properties

Melting Point

130-143°C

Boiling Point

269.6±40.0 ºC (760 Torr),

Density

1.603±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

116.9±27.3 ºC,

SMILES

View in Editor

C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)

InChIKey

HXRMCZBDTDCCOP-UHFFFAOYSA-N

LogP

2.452

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

234

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HMS1665F08
CCG-53260
UNII-87OR96929T
EN300-146152
3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylicacid
SR-01000642435-1
2-Carboxy-3-Chloro-5-(Trifluoromethyl)Pyridine, 3-Chloro-5-(Trifluoromethyl)Picolinic Acid; 2-Pyridinecarboxylic Acid, 3-Chloro-6-(Trifluoromethyl)-; 2-Pyridinecarboxylicacid, 3-Chloro-5-(Trifluoromethyl)-; 5-Chloro-3-(trifluoromethyl)-2-pyridinecarboxylic acid;3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic Acid
DC-0726
BRD-K69282606-001-02-1
3-chloro-5-trifluoromethylpicolinic acid
3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylicacid
CS-W002605
3-Chloro-5-trifluoromethyl-2-pyridinecarboxylic acid
3-Chloro-5-(trifluoromethyl)picolinicacid
Z1262328783
3-Chloro-5-(trifluoromethyl)picolinic acid
AM20061517
DTXSID101001096
3-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid
Q27269832
87OR96929T
NS00067436
SY023410
J-512258
80194-18-9
GEO-03227
80194-68-9
SCHEMBL286688
A864733
3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid
FT-0650008

MDL Number

MFCD00277482

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-68-9)?

3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid is a crystalline compound with a molecular weight of approximately 254.02 g/mol. It has low water solubility, with a solubility of about 0.038 g/L at 25°C. This compound is relatively stable under neutral and basic conditions but can react with strong bases to form the corresponding salt. It exhibits weak acidity and can undergo nucleophilic substitution reactions.

How is 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-68-9) typically synthesized?

3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid is typically synthesized through a multi-step process involving the reaction of 2-chloro-5-(trifluoromethyl)pyridine with carbon dioxide in the presence of a suitable catalyst. This process yields a high yield and good selectivity. The synthesized compound can be purified by recrystallization from an appropriate solvent.

What industries use 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-68-9)?

3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates due to its unique chemical properties. It also finds applications in the polymer industry for the modification of polymers to enhance their mechanical and thermal properties. Additionally, it is used in the development of sensors and semiconductors, although on a smaller scale.

What precautions should be taken when handling 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid (CAS: 80194-68-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid. Work should be conducted in a fume hood to minimize exposure to vapors. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures. This compound is not particularly reactive, but care should be taken to avoid contact with strong bases.