427519

2-Methylglutaronitrile

99%

• Synonyme(s) : α-Methylglutarodinitrile, α-Methylglutaronitrile, 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylpentanedinitrile, Diacrylonitrile
• Formule linéaire : NCCH(CH₃)CH₂CH₂CN
• Numéro CAS: 4553-62-2
• Poids moléculaire : 108.14
• Beilstein: 1741955
• Numéro CE : 224-923-5
• Numéro MDL: MFCD00001875
• Code UNSPSC : 12352100
• ID de substance PubChem : 24866765
• Nomenclature NACRES : NA.22

Propriétés

• Niveau de qualité: 100
• Essai: 99%
• Forme: liquid
• Impuretés: <0.1% benzene
• Indice de réfraction: n20/D 1.434 (lit.)
• pb: 269-271 °C (lit.)
• Pf: −45 °C (lit.)
• Solubilité: water: soluble
• Densité: 0.95 g/mL at 25 °C (lit.)
• Groupe fonctionnel: nitrile
• Chaîne SMILES: CC(CCC#N)C#N
• InChI: 1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
• Clé InChI: FPPLREPCQJZDAQ-UHFFFAOYSA-N

Description

Description générale

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.

Application

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

Informations sur la sécurité

• Pictogrammes: GHS06
• Mention d'avertissement: Danger
• Mentions de danger: H301 + H311,H330
• Conseils de prudence: P260 - P264 - P271 - P280 - P302 + P352 + P312 - P304 + P340 + P310
• Classification des risques: Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
• Code de la classe de stockage: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 239.0 °F - closed cup
• Point d'éclair (°C): 115 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter