Methyl isonicotinate

Basic Information

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CAS Number

2459-09-8

Molecular Formula

C7H7NO2

Molecular Weight

137.14 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

Basic Physical Properties

Physical State

Yellow to Brown Liquid

Melting Point

8-8.5 °C

Boiling Point

209°C

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.512(lit.)

SMILES

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COC(=O)C1=CC=NC=C1

InChI

InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

LogP

0.8681999999999999

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

119

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

A23906
CHEMBL2251612
FT-0628745
EINECS 219-546-8
4-pyridinecarboxylic acid methyl ester
AKOS000121257
InChI=1/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H
4-Methoxycarbonylpyridine
PS-3636
STR01059
Pyridine-4-carboxylic Acid Methyl Ester
MFCD00006427
4-Pyridinecarboxylic acid, methyl ester
Isonicotinic acid, methyl ester
I0141
Methyl Pyridine-4-carboxylate
CS-D1405
NSC-18257
DTXSID9062433
EN300-15483
AM84831
NSC18257
Pyridine-4-carboxylic acid, methyl ester
FT-0627427
SCHEMBL180574
Q63398365
2459-09-8
4-Carbomethoxypyridine
AC-3093
AH74GPR4IK
UNII-AH74GPR4IK

MDL Number

MFCD00006427

Customs Code

2933399090

FAQ

What is Methyl isonicotinate (CAS: 2459-09-8)?

Methyl isonicotinate (CAS: 2459-09-8) is an organic compound with the chemical formula CH3C5H4NO2. It is a colorless liquid with a pungent odor. It is used as a starting material in the synthesis of other chemicals and in the production of pharmaceuticals and agrochemicals.

What are the main uses of Methyl isonicotinate (CAS: 2459-09-8)?

Methyl isonicotinate (CAS: 2459-09-8) is primarily used as a precursor in the chemical industry, particularly in the synthesis of pharmaceuticals and agrochemicals. It is also used as a fragrance and flavoring agent in the food industry.

Is Methyl isonicotinate (CAS: 2459-09-8) safe?

Methyl isonicotinate (CAS: 2459-09-8) is generally safe when handled with proper precautions. It is moderately toxic and may cause skin and eye irritation. Users should avoid contact with skin and eyes, and wear appropriate personal protective equipment (PPE) such as gloves and goggles. Storage should be in a well-ventilated area, away from heat and open flames.

How should Methyl isonicotinate (CAS: 2459-09-8) be stored?

Methyl isonicotinate (CAS: 2459-09-8) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The temperature should be kept below 30°C (86°F) to ensure stability. Avoid storing it near incompatible substances such as strong acids, bases, and oxidizers.