427519

2-Methylglutaronitrile

99%

• Sinónimos: α-Methylglutarodinitrile, α-Methylglutaronitrile, 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylpentanedinitrile, Diacrylonitrile
• Fórmula lineal: NCCH(CH₃)CH₂CH₂CN
• Número de CAS: 4553-62-2
• Peso molecular: 108.14
• Beilstein: 1741955
• Número CE: 224-923-5
• Número MDL: MFCD00001875
• Código UNSPSC: 12352100
• ID de la sustancia en PubChem: 24866765
• NACRES: NA.22

Propiedades

• Nivel de calidad: 100
• Ensayo: 99%
• Formulario: liquid
• impurezas: <0.1% benzene
• índice de refracción: n20/D 1.434 (lit.)
• bp: 269-271 °C (lit.)
• mp: −45 °C (lit.)
• solubilidad: water: soluble
• densidad: 0.95 g/mL at 25 °C (lit.)
• grupo funcional: nitrile
• cadena SMILES: CC(CCC#N)C#N
• InChI: 1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
• Clave InChI: FPPLREPCQJZDAQ-UHFFFAOYSA-N

Descripción

Descripción general

2-Methylglutaronitrile (MGN) is an aliphatic dinitrile. It is a high boiling solvent mainly used in the fiber industry. It is formed as a byproduct during the synthesis of adiponitrile. Synthesis of β-picoline using a mixture of 2-methylglutaronitrile and 2-ethylsuccinonitrile in the presence of silica-supported palladium, rhodium and platinum catalysts by vapour phase hydrogenation has been studied. Its core electron binding energy (CEBE) has been calculated via density functional theory (DFT). It has been reported to undergo hydrolysis catalyzed by nitrilase to form 4-cyanopentanoic acid.

Aplicación

2-Methylglutaronitrile (MGN) may be used in the synthesis of 1,5-dimethyl-2-piperidone (1,5-DMPD) by chemoenzymatic process.

Información de seguridad

• Pictogramas: GHS06
• Palabra de señalización: Danger
• Frases de peligro: H301 + H311,H330
• Consejos de prudencia: P260 - P264 - P271 - P280 - P302 + P352 + P312 - P304 + P340 + P310
• Clasificaciones de peligro: Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
• Código de clase de almacenamiento: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): 239.0 °F - closed cup
• Punto de inflamabilidad (°C): 115 °C - closed cup
• Equipo de protección personal: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter