Methyl 3-chloroisonicotinate

Basic Information

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CAS Number

98273-79-1

Molecular Formula

C7H6ClNO2

Molecular Weight

171.58 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

Boiling Point

70-75 ºC (0.1 Torr)

Density

1.294±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

94.7±21.8 ºC,

Refractive Index

1.53425 (589.3 nm 20 ºC)

SMILES

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COC(=O)C1=C(C=NC=C1)Cl

InChI

InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

InChIKey

UWSWHAPVUHNFKD-UHFFFAOYSA-N

LogP

1.5215999999999998

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

151

Synonyms & References

English

EN300-131042
4-Pyridinecarboxylic acid, 3-chloro-, methyl ester
Methyl 3-chloroisonicotinate
AC-33443
GS-5006
UWSWHAPVUHNFKD-UHFFFAOYSA-N
DTXSID50571497
AKOS006310563
SCHEMBL949750
FT-0738616
3-chloro-pyridine-4-carboxylic acid methyl ester
CS-0038405
(R)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylicacid
MFCD09910337
SY043110
methyl 3-chloropyridine-4-carboxylate
98273-79-1
AM804628
4-Pyridinecarboxylicacid, 3-chloro-, methyl ester
Methyl 3-chloronicotinate
3-Chloro-4-pyridinecarboxylic acid methyl ester

MDL Number

MFCD09910337

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Methyl 3-chloroisonicotinate (CAS: 98273-79-1)?

Methyl 3-chloroisonicotinate (CAS: 98273-79-1) is a white crystalline solid at room temperature. Its molecular weight is approximately 177.58 g/mol. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is highly reactive due to the presence of the chloro and ester functional groups, making it prone to hydrolysis and nucleophilic substitution reactions.

How is Methyl 3-chloroisonicotinate (CAS: 98273-79-1) typically synthesized?

Methyl 3-chloroisonicotinate (CAS: 98273-79-1) is commonly synthesized through the condensation of 3-chloroisonicotinic acid with methyl alcohol in the presence of a strong base like sodium hydroxide. The reaction is carried out in a solvent such as methanol or ethanol, often at elevated temperatures. The yield is typically around 75-85%, and the reaction is highly selective, making it a reliable method for production.

What industries use Methyl 3-chloroisonicotinate (CAS: 98273-79-1)?

Methyl 3-chloroisonicotinate (CAS: 98273-79-1) finds applications in various industries. It is used in pharmaceuticals for intermediate synthesis, in polymers for plasticizers and additives, and in sensors for detection of specific chemicals. Additionally, it is employed in the synthesis of semiconductors and as a reagent in organic chemistry.

What precautions should be taken when handling Methyl 3-chloroisonicotinate (CAS: 98273-79-1)?

When handling Methyl 3-chloroisonicotinate (CAS: 98273-79-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from sources of heat. Handling should be conducted in a fume hood to minimize exposure to vapors. In case of spill, immediate action should be taken according to the Safety Data Sheet (SDS) guidelines to ensure safety.