1,2-Oxazole-3-carbonitrile

Basic Information

View in Editor

CAS Number

68776-57-8

Molecular Formula

C4H2N2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

226.8 °C at 760 mmHg

Density

1.25

Flash Point

91 °C

SMILES

View in Editor

C1=CON=C1C#N

InChI

InChI=1S/C4H2N2O/c5-3-4-1-2-7-6-4/h1-2H

InChIKey

QUBXULZTCLXFRV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

104

Synonyms & References

English

Cyanoisoxazole
MFCD09833404
AMY3701
QUBXULZTCLXFRV-UHFFFAOYSA-N
CS-0044102
Cyano-isoxazole
3-CYANOISOXAZOLE
1,2-OXAZOLE-3-CARBONITRILE
isoxazole-3-carbonitrile, AldrichCPR
3-Isoxazolecarbonitrile
PB32775
FT-0733492
EN300-96816
68776-57-8
DTXSID20627036
AKOS012323504
ISOXAZOLE-3-CARBONITRILE
P10777
Isoxazole-3-carbonitrile
1,2-oxazole-3-carbonitrile
3-Cyanoisoxazole
C4H2N2O
3-Cyan-isoxazol
3-Cyano-isoxazol
Isoxazol-3-carbonitril
0622AC
BC221926
776I578

MDL Number

MFCD09833404

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,2-Oxazole-3-carbonitrile (CAS: 68776-57-8)?

1,2-Oxazole-3-carbonitrile is a crystalline compound with a molecular weight of approximately 119.11 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is relatively stable under normal conditions but may undergo hydrolysis in the presence of water. It is used in organic synthesis and as a precursor for various pharmaceuticals and materials.

How is 1,2-Oxazole-3-carbonitrile (CAS: 68776-57-8) typically synthesized?

1,2-Oxazole-3-carbonitrile is commonly synthesized via the nitrilation of 1,2-oxazole. This can be achieved using cyanide or its derivatives in the presence of a base. The reaction is known for its high yield and good selectivity, making it a standard method in organic chemistry for preparing this compound.

What industries use 1,2-Oxazole-3-carbonitrile (CAS: 68776-57-8)?

1,2-Oxazole-3-carbonitrile finds applications in various industries. It is used in the pharmaceutical sector for synthesizing drugs, in the polymer industry for developing functional materials, and in the electronics industry for the production of sensors and semiconductors. Its versatility and reactivity make it a valuable compound in these fields.

What precautions should be taken when handling 1,2-Oxazole-3-carbonitrile (CAS: 68776-57-8)?

When handling 1,2-Oxazole-3-carbonitrile, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Operations should be conducted in a well-ventilated area or fume hood to minimize exposure. In case of spills, absorb with appropriate materials and dispose of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency information.