ChemicalBook--->CAS DataBase List--->631-57-2

631-57-2

631-57-2 Structure

631-57-2 Structure
IdentificationBack Directory
[Name]

PYRUVONITRILE
[CAS]

631-57-2
[Synonyms]

Pyuvoitrile
Pyruvocyanide
PYRUVONITRILE
ACETYL CYANIDE
1-Cyanoethanal
1-Cyanoethanone
Oxopropionitrile
Oxypropionitrile
Pyruvonitrile 90%
2-OXOPROPIONITRILE
Pyruvonitrile (>
2-Oxopropanenitrile
Pyruvonitrile (>90%)
2-oxopropiononitrile
Pyruvic acid nitrile
alpha-Oxopropionitrile
Propanenitrile, 2-oxo-
Propanenitrile, 2-oxo-(9CI)
Acetyl cyanide Or Pyruvonitrile
2-Oxopropionitrile, Acetyl cyanide
[EINECS(EC#)]

211-159-2
[Molecular Formula]

C3H3NO
[MDL Number]

MFCD00001838
[MOL File]

631-57-2.mol
[Molecular Weight]

69.06
Chemical PropertiesBack Directory
[Boiling point ]

92-93 °C(lit.)
[density ]

0.974 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.376(lit.)
[Fp ]

58 °F
[storage temp. ]

2-8°C
[solubility ]

Soluble in ether and acetonitrile.
[form ]

Liquid
[color ]

Colorless to brown
[BRN ]

1737633
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

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

QLDHWVVRQCGZLE-UHFFFAOYSA-N
[SMILES]

CC(=O)C#N
[CAS DataBase Reference]

631-57-2
Safety DataBack Directory
[Hazard Codes ]

F,T,N
[Risk Statements ]

11-23/25-51/53-37/38
[Safety Statements ]

45-61-36/37-16
[RIDADR ]

UN 3273 3/PG 2
[WGK Germany ]

3
[F ]

8-10-13
[HazardClass ]

3.1
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 3
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetyl chloride-->Copper(I) Cyanide
[Preparation Products]

pyruvamide-->Diethyl chlorophosphite
Hazard InformationBack Directory
[Description]

Pyruvonitrile is a versatile electrophile useful for selective acylation, cyanohydrin synthesis, and cycloaddition reactions.
[Chemical Properties]

Pyruvonitrile has a boiling point of 92.3 °C and a density of 0.9745 g/cm3.
[Uses]

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

Preparative Methods of Pyruvonitrile: acyl cyanides are readily prepared from the reaction of acyl halides with Copper(I) Cyanide, Sodium Cyanide,or Cyanotrimethylsilane and via the oxidation of cyanohydrins.
[General Description]

The infrared spectra of pyruvonitrile was studied.
[storage]

Pyruvonitrile and its analogs are highly toxic; use in a fume hood.
Spectrum DetailBack Directory
[Spectrum Detail]

PYRUVONITRILE(631-57-2)MS
PYRUVONITRILE(631-57-2)1HNMR
PYRUVONITRILE(631-57-2)IR1
PYRUVONITRILE(631-57-2)Raman
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