2,6-Dichloro-4-(trifluoromethyl)nicotinic acid

Basic Information

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CAS Number

503437-19-2

Molecular Formula

C7H2Cl2F3NO2

Molecular Weight

260 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

79-80°

Density

1.703

SMILES

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O=C(O)C1=C(Cl)N=C(Cl)C=C1C(F)(F)F

InChI

InChI=1S/C7H2Cl2F3NO2/c8-3-1-2(7(10,11)12)4(6(14)15)5(9)13-3/h1H,(H,14,15)

InChIKey

PZBCYMXYIZQNFE-UHFFFAOYSA-N

LogP

3.1053999999999995

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2,6-dichloro-4-(trifluoromethyl)nicotinic acid
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
2,6-DICHLORO-4-TRIFLUOROMETHYL-NICOTINIC ACID
4-(3-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2,5-DIBROMO-3,4,6-TRIFLUOROBENZENE

MDL Number

MFCD06208180

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2)?

2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2) is a crystalline solid with a molecular weight of approximately 306.02 g/mol. It has limited water solubility in the range of 0.02 g/100 mL at 25°C. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions. It is also stable under normal conditions but requires careful handling to avoid decomposition in the presence of strong bases.

How is 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2) typically synthesized?

2,6-Dichloro-4-(trifluoromethyl)nicotinic acid is typically synthesized via the condensation of 2,6-dichloropyridine with trifluoroacetyl chloride. The reaction is usually carried out in the presence of a base like pyridine to improve the yield. The product is then isolated and purified through recrystallization. Detailed conditions and catalysts are crucial for achieving the desired selectivity and high yield.

What industries use 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2)?

2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2) finds application in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the semiconductor industry as a precursor in the production of electronic materials and in the polymer industry for the development of advanced functional polymers.

What precautions should be taken when handling 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2)?

When handling 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (CAS: 503437-19-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its potential to release harmful fumes. Spills should be immediately neutralized with an appropriate absorbent and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and storage guidelines.