Ethyl 2-cyanonicotinate

Basic Information

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CAS Number

75358-90-6

Molecular Formula

C9H8N2O2

Molecular Weight

165.19 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

35-40 °C

Boiling Point

327.9°C at 760 mmHg

Density

1.21

Flash Point

152.1°C

Refractive Index

1.528

SMILES

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CCOC(=O)C1=C(N=CC=C1)C#N

InChI

InChI=1S/C9H8N2O2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2H2,1H3

InChIKey

KOAWFXMHARNHJY-UHFFFAOYSA-N

LogP

1.5667200000000001

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

231

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

Synonyms & References

English

DTXSID60508779
Ethyl 2-cyanonicotinate
DS-14307
CS-W022660
AKOS006285064
Ethyl 2-cyanopyridine-3-carboxylate
KOAWFXMHARNHJY-UHFFFAOYSA-N
FT-0693305
AMY17197
AC-14850
SCHEMBL2800784
MFCD07368152
F9995-2554
2-Cyano-nicotinic acid ethyl ester
ethyl 2-cyano-3-pyridinecarboxylate
AB31816
75358-90-6
C76409
3-Pyridinecarboxylic acid, 2-cyano-, ethyl ester
Ethyl 2-cyanopyridine-3-carboxylate, 97%
ethyl 2-cyanopyridine-3-carboxylate
2-Cyanopyridine-3-carboxylic acid ethyl ester
3-(Ethoxycarbonyl)-2-pyridinecarbonitrile
KSC641I7N
FCH855167
OR301301
AX8128294
ST24030510
W8273
2-CYANO-3-P

MDL Number

MFCD07368152

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Ethyl 2-cyanonicotinate (CAS: 75358-90-6)?

Ethyl 2-cyanonicotinate (CAS: 75358-90-6) is a crystalline compound with a molecular weight of approximately 191.14 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. This compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is commonly used in organic synthesis due to its reactivity and functionality.

How is Ethyl 2-cyanonicotinate (CAS: 75358-90-6) typically synthesized?

Ethyl 2-cyanonicotinate (CAS: 75358-90-6) is typically synthesized by the reaction of 2-cyanonicotinic acid with ethylamine. The synthesis involves the condensation of 2-cyanonicotinic acid with ethylamine in the presence of a base such as sodium hydroxide, yielding the desired product with good yield and selectivity.

What industries use Ethyl 2-cyanonicotinate (CAS: 75358-90-6)?

Ethyl 2-cyanonicotinate (CAS: 75358-90-6) is used in various industries, particularly in pharmaceuticals for the synthesis of active pharmaceutical ingredients. It is also utilized in the production of certain dyes, coatings, and as a precursor in organic synthesis for the development of new materials.

What precautions should be taken when handling Ethyl 2-cyanonicotinate (CAS: 75358-90-6)?

When handling Ethyl 2-cyanonicotinate (CAS: 75358-90-6), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled carefully using appropriate materials, and the Material Safety Data Sheet (MSDS) should be consulted for specific safety guidelines and emergency procedures.