269212
Pyruvonitrile
90%
Synonym(s):
2-Oxopropionitrile, Acetyl cyanide
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About This Item
Linear Formula:
CH3COCN
CAS Number:
Molecular Weight:
69.06
Beilstein:
1737633
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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
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
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