3-Morpholinecarbonitrile

Basic Information

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CAS Number

97039-63-9

Molecular Formula

C5H8N2O

Molecular Weight

17.03 g/mol

Chemical Classification

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

Basic Physical Properties

Melting Point

81.4-87.3 ºC

Boiling Point

256.0±35.0 ºC (760 Torr),

Density

1.10±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

108.7±25.9 ºC,

SMILES

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N#CC1COCCN1

InChI

InChI=1S/C5H8N2O/c6-3-5-4-8-2-1-7-5/h5,7H,1-2,4H2

InChIKey

OTGILAPKWVHCSM-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

Morpholine-3-carbonitrile
3-Morpholinecarbonitrile
3-cyanomorpholine
morpholine-3-nitrile
morpholine-3-carbonitrile

MDL Number

MFCD09863124

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Morpholinecarbonitrile (CAS: 97039-63-9)?

3-Morpholinecarbonitrile (CAS: 97039-63-9) is a colorless to light yellow oily liquid. It has a molecular weight of approximately 125.13 g/mol and a boiling point of 143-144°C. It is slightly soluble in water but miscible with most organic solvents. It is known for its moderate reactivity, particularly towards nucleophiles and bases.

How is 3-Morpholinecarbonitrile (CAS: 97039-63-9) typically synthesized?

3-Morpholinecarbonitrile is typically synthesized by the cyanation of morpholine in the presence of a transition metal catalyst such as palladium(II) acetate and a ligand such as triphenylphosphine. The reaction is generally carried out in an inert solvent like dichloromethane at room temperature, yielding a high selectivity and good to excellent yield.

What industries use 3-Morpholinecarbonitrile (CAS: 97039-63-9)?

3-Morpholinecarbonitrile (CAS: 97039-63-9) is used in the pharmaceutical industry for the synthesis of certain drug molecules, and in the polymer industry as a monomer. It also finds applications in the development of sensors and in the semiconductor industry for various chemical processes.

What precautions should be taken when handling 3-Morpholinecarbonitrile (CAS: 97039-63-9)?

When handling 3-Morpholinecarbonitrile (CAS: 97039-63-9), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be handled with caution, using appropriate absorbent materials and following the manufacturer’s guidelines. Always consult the Safety Data Sheet (SDS) for detailed information on storage, disposal, and emergency procedures.