269212

Pyruvonitrile

90%

• Synonym(s): 2-Oxopropionitrile, Acetyl cyanide
• Linear Formula: CH₃COCN
• CAS Number: 631-57-2
• Molecular Weight: 69.06
• Beilstein/REAXYS Number: 1737633
• MDL number: MFCD00001838
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856317
• NACRES: NA.22

Properties

• 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.)
• functional group: ketone; nitrile
• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H225,H301 + H331,H315,H335,H412
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
• 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_germany: 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