structure of 4-Isocyanooxane

4-Isocyanooxane

CAS No.: 1000699-00-2
M. Wt: 111.14200
M. Fa: C6H9NO
InChI Key: NEOIPTGICFBMEE-UHFFFAOYSA-N
Appearance: Liquid

Names and Identifiers of 4-Isocyanooxane

CAS Number

1000699-00-2

EC Number

834-750-2

IUPAC Name

4-isocyanooxane

InChI

InChI=1S/C6H9NO/c1-7-6-2-4-8-5-3-6/h6H,2-5H2

InChIKey

NEOIPTGICFBMEE-UHFFFAOYSA-N

Canonical SMILES

[C-]#[N+]C1CCOCC1

Physical and chemical properties of 4-Isocyanooxane

Exact Mass

111.06800

LogP

0.31540

Molecular Formula

C6H9NO

Molecular Weight

111.14200

PSA

9.23000

Safety Information of 4-Isocyanooxane

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 4-Isocyanooxane

4-Isocyanooxane has potential applications in various fields:

  • Organic Synthesis: It serves as a versatile intermediate for synthesizing more complex organic molecules.
  • Material Science: Its unique properties may allow for incorporation into polymers or coatings that require enhanced durability or specific chemical reactivity.
  • Pharmaceutical Chemistry: Given the biological activity of related compounds, it may have potential as a lead compound in drug discovery efforts.

Interaction Studies of 4-Isocyanooxane

Interaction studies involving 4-Isocyanooxane primarily focus on its reactivity with nucleophiles and electrophiles. The compound's isocyanide group can interact with various biological molecules, potentially leading to modifications that affect their function. Additionally, studies on its interactions with solvents and other reagents are crucial for understanding its behavior in different chemical environments.

Physical sample testing spectrum (NMR) of 4-Isocyanooxane

Physical sample testing spectrum (NMR) of 4-Isocyanooxane