427519

2-Methylglutaronitril

99%

• Synonym(e): α-Methylglutarodinitrile, α-Methylglutaronitrile, 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylpentanedinitrile, Diacrylonitrile
• Lineare Formel: NCCH(CH₃)CH₂CH₂CN
• CAS-Nummer: 4553-62-2
• Molekulargewicht: 108.14
• Beilstein: 1741955
• EG-Nummer: 224-923-5
• MDL-Nummer: MFCD00001875
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24866765
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 99%
• Form: liquid
• Verunreinigungen: <0.1% benzene
• Brechungsindex: n20/D 1.434 (lit.)
• bp: 269-271 °C (lit.)
• mp (Schmelzpunkt): −45 °C (lit.)
• Löslichkeit: water: soluble
• Dichte: 0.95 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: nitrile
• SMILES String: CC(CCC#N)C#N
• InChI: 1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
• InChIKey: FPPLREPCQJZDAQ-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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

Sicherheitshinweise

• Piktogramme: GHS06
• Signalwort: Danger
• H-Sätze: H301 + H311,H330
• P-Sätze: P260 - P264 - P271 - P280 - P302 + P352 + P312 - P304 + P340 + P310
• Gefahreneinstufungen: Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
• Lagerklassenschlüssel: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): 239.0 °F - closed cup
• Flammpunkt (°C): 115 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter