3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid

Basic Information

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CAS Number

80194-18-9

Molecular Formula

C46H44Cl3N7O9S2

Molecular Weight

1009.37 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

Density

1.45±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (4.1E-6 g/L) (25 ºC),

SMILES

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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

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

FAQ

What are the physical and chemical properties of 3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid (CAS: 80194-18-9)?

3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid is a crystalline solid with a molecular weight of approximately 279.05 g/mol. It has a high solubility in organic solvents such as DMSO and DMF. Chemically, it is reactive towards nucleophiles and can participate in nucleophilic substitution reactions. It is often used in pharmaceutical and polymer synthesis due to its unique electronic properties.

How is 3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid (CAS: 80194-18-9) typically synthesized?

3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid is typically synthesized via a multistep process involving acylation of pyridine derivatives. Commonly, acetic anhydride or acetyl chloride is used as the acylating agent, followed by chlorination and trifluoromethylation steps. High yield and high selectivity are achieved using appropriate catalysts and reaction conditions.

What industries use 3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid (CAS: 80194-18-9)?

3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid is widely used in pharmaceuticals for drug synthesis, particularly in the development of anti-inflammatory and antiviral compounds. It is also utilized in the polymer industry for the production of advanced materials and in the development of sensitive chemical sensors.

What precautions should be taken when handling 3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid (CAS: 80194-18-9)?

When handling 3-Chloro-5-(Trifluoromethyl)Pyridine-2-Carboxylic Acid, it is essential to wear gloves, protective goggles, and a lab coat. Work should be conducted in a well-ventilated area or within a fume hood. Spills should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.