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MilliporeSigma

269212

Pyruvonitrile

90%

Synonym(s):

2-Oxopropionitrile, Acetyl cyanide

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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%

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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

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1 of 4

This Item
159573240338155713
Pyruvonitrile 90%

Sigma-Aldrich

269212

Pyruvonitrile

2-Furonitrile 99%

Sigma-Aldrich

159573

2-Furonitrile

2-Pyrrolidinone ≥99%

Sigma-Aldrich

240338

2-Pyrrolidinone

5-Nitro-2-furoic acid 98%

Sigma-Aldrich

155713

5-Nitro-2-furoic acid

assay

90%

assay

99%

assay

≥99%

assay

98%

Quality Level

200

Quality Level

100

Quality Level

200

Quality Level

100

storage temp.

2-8°C

storage temp.

-

storage temp.

-

storage temp.

-

refractive index

n20/D 1.376 (lit.)

refractive index

n20/D 1.479 (lit.)

refractive index

n20/D 1.487 (lit.)

refractive index

-

bp

92-93 °C (lit.)

bp

146-148 °C (lit.)

bp

245 °C (lit.)

bp

-

density

0.974 g/mL at 25 °C (lit.)

density

1.064 g/mL at 25 °C (lit.)

density

1.12 g/mL at 25 °C (lit.)

density

-

Application

Pyruvonitrile was used in the synthesis of cuprate-carbonyl π-complexes by reaction with Me2CuLi in THF[1].

General description

The infrared spectra of pyruvonitrile was studied[2].
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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL8334
BCCH0684
BCBH6971V
BCBG6862V
BCBC7765

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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

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