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/REAXYS Number: 1741955
• EC Number: 224-923-5
• MDL number: MFCD00001875
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866765
• NACRES: NA.22

Propiedades

• Quality Level: 100
• assay: 99%
• form: liquid
• impurities: <0.1% benzene
• refractive index: n20/D 1.434 (lit.)
• bp: 269-271 °C (lit.)
• mp: −45 °C (lit.)
• solubility: water: soluble
• density: 0.95 g/mL at 25 °C (lit.)
• functional group: nitrile
• SMILES string: CC(CCC#N)C#N
• InChI: 1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
• InChI key: FPPLREPCQJZDAQ-UHFFFAOYSA-N

Descripción

General description

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.

Información de seguridad

• pictograms: GHS06
• signalword: Danger
• hcodes: H301 + H311,H330
• pcodes: P260 - P264 - P271 - P280 - P302 + P352 + P312 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 239.0 °F - closed cup
• flash_point_c: 115 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter