Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

269212

Sigma-Aldrich

Pyruvonitrile

90%

Synonym(s):

2-Oxopropionitrile, Acetyl cyanide

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3COCN
CAS Number:
631-57-2
Molecular Weight:
69.06
Beilstein:
1737633
MDL number:
MFCD00001838
UNSPSC Code:
12352100
PubChem Substance ID:
24856317
NACRES:
NA.22

Quality Level

200

Assay

90%

refractive index

n20/D 1.376 (lit.)

bp

92-93 °C (lit.)

density

0.974 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(=O)C#N

InChI

1S/C3H3NO/c1-3(5)2-4/h1H3

InChI key

QLDHWVVRQCGZLE-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

The infrared spectra of pyruvonitrile was studied.
may contain ca. 5% mesitylene

Application

Pyruvonitrile was used in the synthesis of cuprate-carbonyl π-complexes by reaction with Me2CuLi in THF.

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

57.2 °F - closed cup

Flash Point(C)

14 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Damien Forthomme et al.
The journal of physical chemistry. A, 119(28), 7439-7450 (2015-03-31)
Frequency-modulated laser transient absorption has been used to monitor the ground-state rotational energy-transfer rates of CN radicals in a double-resonance, depletion recovery experiment. When a pulsed laser is used to burn a hole in the equilibrium ground-state population of one
M P Bernstein et al.
The Astrophysical journal, 476(2), 932-942 (1997-02-20)
We present the 2320-2050 cm-1 (4.31-4.88 micrometers) infrared spectra of 16 solid-state nitriles, isonitriles, and related compounds in order to facilitate the assignment of absorption features in a spectral region now becoming accessible to astronomers for the first time through
Steven H Bertz et al.
Chemical communications (Cambridge, England), 49(29), 3010-3012 (2013-03-06)
Rapid injection of pyruvonitrile or benzoyl cyanide into solutions of Me2CuLi in THF-d8 at -100 °C gave complexes that were stable at this temperature. 1D NMR with multiply labelled substrates ((13)C/(15)N) and 2D NMR ((1)H/(13)C) identified them as the first

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service