Name: Name:Pyruvonitrile
Brand: AABLOCKS
SKU: AA003U0H
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003U0H

Chemical Name: Pyruvonitrile

CAS Number: 631-57-2

Molecular Formula: C3H3NO

Molecular Weight: 69.0620

MDL Number: MFCD00001838

SMILES: CC(=O)C#N

NSC Number: 91482

Properties

BP: 92.3°C

Form: Liquid

Refractive Index: n20/D 1.376(lit.)

Solubility: Soluble in ether and acetonitrile.

Storage: 2-8℃;Inert atmosphere;

Complexity: 86.3

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 5

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: -0.1

Literature fold

Title: Gas-phase photodissociation of CH3COCN at 308 nm by time-resolved Fourier-transform infrared emission spectroscopy.

Journal: The Journal of chemical physics20120128

Title: [4'-(3-Pyrid-yl)-2,2';6',2''-terpyridine]dithio-cyanato-copper(II).

Journal: Acta crystallographica. Section E, Structure reports online20100401

Title: Lewis base-catalyzed three-component Strecker reaction on water. An efficient manifold for the direct alpha-cyanoamination of ketones and aldehydes.

Journal: Chemical communications (Cambridge, England)20091128

Title: The catalytic acylcyanation of imines.

Journal: Chemistry, an Asian journal20080201

Title: Multireference theoretical investigation on selectivity of the bond fissions in photodissociation of acetyl cyanide.

Journal: The Journal of chemical physics20071228

Title: Anharmonic analysis of the vibrational spectra of some cyanides and related molecules of astrophysical importance.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20061101

Title: Reaction path of UV photolysis of matrix isolated acetyl cyanide: formation and identification of ketenes, zwitterion, and keteneimine intermediates.

Journal: The journal of physical chemistry. A20051229

Title: Dual Lewis acid-Lewis base activation in enantioselective cyanation of aldehydes using acetyl cyanide and cyanoformate as cyanide sources.

Journal: Journal of the American Chemical Society20050824

631-57-2 | Pyruvonitrile