Ethyl 2,6-dichloronicotinate

Basic Information

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CAS Number

58584-86-4

Molecular Formula

C8H7Cl2NO2

Molecular Weight

220.05 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

50.0 to 54.0 deg-C

Boiling Point

286.0±35.0 ºC (760 Torr),

Density

1.367±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

126.7±25.9 ºC,

SMILES

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CCOC(=O)C1=C(N=C(C=C1)Cl)Cl

InChI

InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-3-4-6(9)11-7(5)10/h3-4H,2H2,1H3

InChIKey

KKYBVLDQTWQETN-UHFFFAOYSA-N

LogP

2.565100000000001

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

189

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Ethyl 2,6-dichloronicotinate
2,6-Dichloronicotinic acid ethyl ester
2,6‐DICHLORONICOTINIC ACID ETHYL ESTER
Ethyl 2,6-dichloropyridine-3-carboxylate
2,6-Dichloropyridine-3-carboxylic Acid Ethyl Ester
3-Pyridinecarboxylic acid, 2,6-dichloro-, ethyl ester
Ethyl2,6-dichloronicotinate
KKYBVLDQTWQETN-UHFFFAOYSA-N
2,6-Dichloronicotinicacidethylester
8692AB
NE56464
2,6-dichloro nicotinic
2,6-Dichloronicotinic Acid Ethyl Ester
Ethyl 2,6-Dichloropyridine-3-carboxylate
2,6-dichloro-nicotinic acid ethyl ester
AKOS015996853
58584-86-4
MFCD09757510
KG-0717
2,6-dichloro nicotinic acid ethyl ester
Ethyl-2,6-dichloro pyridine-3-carboxylate
SCHEMBL422881
Z962652392
Ethyl-2, 6-dichloro pyridine-3-carboxylate
2,6-Dichloropyridine-3-carboxylic acid ethyl ester
DTXSID10483047
E1194
FD17095
SY102722
EN300-171613
CS-0094675

MDL Number

MFCD09757510

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4)?

Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4) is a crystalline solid with a molecular weight of approximately 237.06 g/mol. It has a low solubility in water (0.1 g/100 mL at 20°C) but is more soluble in organic solvents like methanol and ethanol. This compound is reactive and can undergo hydrolysis under basic conditions. It is stable under normal storage conditions but should be kept away from strong acids and bases to prevent unwanted reactions.

How is Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4) typically synthesized?

Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4) can be synthesized via the reaction of 2,6-dichloronicotinic acid with ethylamine in the presence of a base like sodium hydroxide. The process involves heating the mixture to promote the nucleophilic substitution reaction, followed by acidification to isolate the product. High selectivity and yield can be achieved with proper temperature and concentration control.

What industries use Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4)?

Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the chemical industry for the production of dyes and pigments. Additionally, it can be used in the research and development of new materials, particularly in the fabrication of sensors and semiconductors.

What precautions should be taken when handling Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4)?

When handling Ethyl 2,6-dichloronicotinate (CAS: 58584-86-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be carefully cleaned up using appropriate absorbent materials and flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions and follow all local safety regulations.