Pyruvonitrile - ≥90% , CAS No.631-57-2

CAS: 631-57-2 Cat. No.: P466890 Fórmula: CH₃COCN Peso molecular: 69.06 Número EC: 211-159-2 PubChem CID: 69430

CALIDAD & PUREZA ≥90%

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

The infrared spectra of pyruvonitrile was studied.may contain ca. 5% mesitylenePyruvonitrile was used in the synthesis of cuprate-carbonyl π-complexes by reaction with Me2CuLi in THF.

Especificaciones

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

Pubchem Sid

504754389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754389

Sonrisas canónicas

CC(=O)C#N

IUPAC Name

acetyl cyanide

InChIKey

QLDHWVVRQCGZLE-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CC(=O)C#N

PubChem CID

69430

Peso molecular

69.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Acyl cyanides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Nitrile - Carbonitrile - Acyl cyanide - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de ebullición (°C): 92-93° C (lit.)
• Peso molecular: 69.060 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 69.0215 Da
• Monoisotopic Mass: 69.0215 Da
• Topological Polar Surface Area: 40.900 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 86.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 631-57-2, the molecular formula is CH3COCN, and the molecular weight is 69.06 g/mol. InChIKey QLDHWVVRQCGZLE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.