Ethyl 2,6-dichloro-5-fluoronicotinate

Basic Information

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CAS Number

82671-03-2

Molecular Formula

C8H6Cl2FNO2

Molecular Weight

238.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

SMILES

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CCOC(=O)C1=CC(F)=C(Cl)N=C1Cl

InChI

InChI=1S/C8H6Cl2FNO2/c1-2-14-8(13)4-3-5(11)7(10)12-6(4)9/h3H,2H2,1H3

InChIKey

FPPLCOWQBGOFDU-UHFFFAOYSA-N

LogP

2.704200000000001

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
3-Pyridinecarboxylicacid, 2,6-dichloro-5-fluoro-, ethyl ester
ETHYL 2,6-DICHLORO-5-FLUORONICOTINATE
2,6-Dichloro-5-Fluoro-3-Pyridinecarboxylic Acid Ethyl Ester
2,6-Dichloro-5-fluoro-nicotinic acid ethyl ester
ethyl 2,6-dichloro-5-fluoro-3-pyridinecarboxylate
ethyldichlorofluoronicotinate
ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate

MDL Number

MFCD09757511

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2)?

Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2) is a crystalline solid with a molecular weight of approximately 318.03 g/mol. It has limited water solubility and is soluble in common organic solvents like ethanol and acetone. The compound exhibits moderate reactivity towards nucleophiles and can be used in various synthetic transformations. It is stable under normal storage conditions but should be handled with care due to its potential for hydrolysis under basic conditions.

How is Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2) typically synthesized?

Ethyl 2,6-dichloro-5-fluoronicotinate can be synthesized through a multi-step process involving the first chlorination of nicotinic acid, followed by the selective alkylation with ethylmagnesium bromide. This method provides good yield and selectivity. Catalysts such as aluminum chloride are often used to enhance reactivity and control the reaction pathway.

What industries use Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2)?

Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2) is primarily used in the pharmaceutical industry for the synthesis of certain intermediates and active pharmaceutical ingredients. It is also explored in the polymer industry for the development of novel materials and in sensor technology for specific chemical detection applications.

What precautions should be taken when handling Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2)?

When handling Ethyl 2,6-dichloro-5-fluoronicotinate (CAS: 82671-03-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be managed using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.