Methyl 2-cyanoisonicotinate

Basic Information

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CAS Number

94413-64-6

Molecular Formula

C8H6N2O2

Molecular Weight

151.17 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 Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

107-109 ºC

Boiling Point

296.6°C at 760 mmHg

Density

1.25±0.1 g/cm3 (20 ºC 760 Torr),

Water Solubility

Slightly Soluble in water (6.2 g/L) (25°C).

SMILES

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COC(=O)C1=CC(=NC=C1)C#N

InChI

InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3

InChIKey

ORVHMLCJEKDDAX-UHFFFAOYSA-N

LogP

1.17662

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

218

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

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Methyl 2-cyanoisonicotinate
2-Cyano-4-Pyridine Carboxylic Acid Methyl Ester
2-Cyano-4-pyridinecarboxylic Acid Methyl Ester
2-Cyano-isonicotinic acid methyl ester
4-Pyridinecarboxylicacid, 2-cyano-, methyl ester
methyl 2-cyanopyridine-4-carboxylate
6-Methoxyindole
4-Pyridinecarboxylic acid, 2-cyano-, methyl ester
2-Cyano-4-carbomethoxypyridine
ORVHMLCJEKDDAX-UHFFFAOYSA-N
BCP09229
2-Cyanoisonicotinic acid methyl ester
AB31346
Isonicotinic acid, 2-cyano-, methyl ester (6CI)
Methyl 2-cyano-4-pyridinecarboxylate (ACI)
Methyl2-cyanoisonicotinate
METHYL 2-CYANOPYRIDINE-4-CARBOXYLATE
Z1198172047
94413-64-6
4-pyridinecarboxylicacid, 2-cyano-, methyl ester
SY029349
CS-W006243
DTXSID50478210
AS-18621
DB-079874
AC-14227
SCHEMBL2224335
AKOS006286048
MFCD07367894
EN300-100141
J-522008

MDL Number

MFCD07367894

Customs Code

2933399090

FAQ

What is Methyl 2-cyanoisonicotinate (CAS: 94413-64-6)?

Methyl 2-cyanoisonicotinate is a chemical compound with the CAS number 94413-64-6. Its chemical formula is C8H7N2O2. It is a white solid with a characteristic odor, commonly used in various chemical applications. The compound is known for its stability and solubility in organic solvents, making it suitable for use in research and industrial settings.

What are the main uses of Methyl 2-cyanoisonicotinate (CAS: 94413-64-6)?

Methyl 2-cyanoisonicotinate is primarily used in pharmaceutical research as an intermediate in the synthesis of certain drugs. It also finds applications in the production of pesticides and as a component in some chemical formulations. Due to its reactivity, it is utilized in organic chemistry for functional group modifications and in the development of new materials.

Is Methyl 2-cyanoisonicotinate (CAS: 94413-64-6) safe?

Methyl 2-cyanoisonicotinate is generally considered safe when handled properly. However, it should be treated with care as it can cause skin and eye irritation. Safety measures include wearing protective gloves, goggles, and a lab coat. It is classified as a hazardous substance under certain regulations and should be stored away from incompatible materials to ensure safety.

How should Methyl 2-cyanoisonicotinate (CAS: 94413-64-6) be stored?

Methyl 2-cyanoisonicotinate should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container at a temperature below 25°C and humidity levels below 60%. Avoid exposure to moisture and incompatible chemicals to maintain its stability and prevent degradation.