Ethyl 2-cyanoisonicotinate

Basic Information

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CAS Number

58481-14-4

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

42-44 ºC

Density

1.21

SMILES

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CCOC(=O)c1ccnc(c1)C#N

InChI

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

InChIKey

HZIKYLAZZZSYKF-UHFFFAOYSA-N

LogP

1.5667200000000001

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

231

Synonyms & References

English

Ethyl 2-cyanoisonicotinate
Ethyl 2-cyanopyridine-4-carboxylate
2-Cyano-4-pyridinecarboxylic Acid Ethyl Ester
2-Cyanoisonicotinic acid ethyl ester
HZIKYLAZZZSYKF-UHFFFAOYSA-N
BCP18491
2-cyano-isonicotinic acid ethyl ester
RP23784
SY067112
ST2412940
AB0025661
AM20061346
W7157
J3.611.836I

MDL Number

MFCD10574965

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4)?

Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4) falls under various regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) in the European Union, and requirements set by the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the United States. Users must comply with these regulations for proper handling, storage, and disposal.

Are there alternatives to Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4) in synthesis?

Alternatives to Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4) include similar compounds such as ethyl isonicotinate and ethyl isoindoline-1-carboxylate. Other synthetically viable reagents like acetonitrile and isonicotinoyl chloride can also serve as substitutes, depending on the specific reaction conditions and desired product.

What is the market or research trend for Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4)?

The market for Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4) is mainly driven by its use in pharmaceuticals and organic synthesis. Recent research trends focus on its application in the development of new drugs and as a precursor in the synthesis of complex organic molecules. Increasing demand from the pharmaceutical industry and emerging research in synthetic chemistry are expected to drive market growth.

How should waste containing Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4) be handled?

Waste containing Ethyl 2-cyanoisonicotinate (CAS: 58481-14-4) should be collected in appropriate containers and stored in a well-ventilated area, away from heat and ignition sources. Proper waste disposal methods include incineration with adequate pollution control measures or professional waste disposal services. Environmental protection precautions include ensuring that all waste is treated in compliance with local environmental regulations to prevent contamination of soil and water.