Skip to Content
Merck
CN

269212

Pyruvonitrile

90%

Synonym(s):

2-Oxopropionitrile, Acetyl cyanide

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
CH3COCN
CAS Number:
631-57-2
Molecular Weight:
69.06
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24856317
MDL number:
MFCD00001838
Beilstein/REAXYS Number:
1737633
Assay:
90%

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

Pyruvonitrile, 90%

InChI

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

SMILES string

CC(=O)C#N

InChI key

QLDHWVVRQCGZLE-UHFFFAOYSA-N

assay

90%

refractive index

n20/D 1.376 (lit.)

bp

92-93 °C (lit.)

density

0.974 g/mL at 25 °C (lit.)

functional group

ketone
nitrile

storage temp.

2-8°C

Quality Level

200

Looking for similar products? Visit Product Comparison Guide

Related Categories

Application

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

General description

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

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

57.2 °F - closed cup

flash_point_c

14 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCL8334
BCCH0684
BCBH6971V
BCBG6862V
BCBC7765

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

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

Visit the Document Library

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
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
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

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