Ethyl 6-chloronicotinate

Basic Information

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CAS Number

49608-01-7

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61 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

Physical State

Yellow to Brown Solid

Melting Point

26-30 °C

Boiling Point

150°C/18mmHg

Refractive Index

1.522

SMILES

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

InChI

InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3

InChIKey

ILDJJTQWIZLGPO-UHFFFAOYSA-N

LogP

1.9117

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

163

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NS00122251
6-chloronicotinic acid ethyl ester
SCHEMBL71884
SY018316
Ethyl 6-chloro-3-pyridinecarboxylate
FT-0601486
6-chloro-nicotinic acid ethyl ester
AKOS000121099
E0852
ethyl 6-chloro nicotinate
ethyl 2-chloro-5-pyridinecarboxylate
2-Chloro-5-pyridinecarboxylicacid ethylester
FT-0621018
Ethyl 6-chloropyridine-3-carboxylate, 97%
Ethyl6-chloronicotinate
2-Chloro-5-pyridinecarboxylic Acid Ethyl Ester
6-chloro nicotinic acid ethyl ester
3-PYRIDINECARBOXYLIC ACID, 6-CHLORO-, ETHYL ESTER
MFCD00082739
AC-6236
Ethyl 6-chloronicotinate
Ethyl 6-chloronicotinoate
Ethyl-6-chloronicotinate
PS-4662
Z53836175
AM20061255
ethyl-6-chloro-nicotinate
ethyl 6-chloro-nicotinate
EN300-34595
Ethyl 2-Chloropyridine-5-carboxylate
49608-01-7

MDL Number

MFCD00082739

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Ethyl 6-chloronicotinate (CAS: 49608-01-7)?

Ethyl 6-chloronicotinate (CAS: 49608-01-7) is a white crystalline solid with a molecular weight of approximately 182.63 g/mol. It is slightly soluble in water and highly soluble in organic solvents. The compound is moderately reactive, particularly towards nucleophiles and bases. It is used in pharmaceuticals and as a reagent in organic synthesis.

How is Ethyl 6-chloronicotinate (CAS: 49608-01-7) typically synthesized?

Ethyl 6-chloronicotinate is typically synthesized by the nucleophilic substitution of ethyl isonicotinate with chloride ions. Common methods include using thionyl chloride or phosphorus oxychloride as the chlorinating agent. The reaction yields a high purity product with good selectivity and yield, making it a versatile starting material in organic chemistry.

What industries use Ethyl 6-chloronicotinate (CAS: 49608-01-7)?

Ethyl 6-chloronicotinate (CAS: 49608-01-7) is primarily used in the pharmaceutical industry for synthesizing various drugs. It is also employed in the polymer industry as a stabilizer and in the production of sensors and semiconductors due to its chemical reactivity.

What precautions should be taken when handling Ethyl 6-chloronicotinate (CAS: 49608-01-7)?

When handling Ethyl 6-chloronicotinate (CAS: 49608-01-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood during handling. Spills should be cleaned up immediately, and the Safety Data Sheet (SDS) should be consulted for detailed instructions. This compound is slightly corrosive, so avoid contact with skin and eyes.