427519

2-メチルグルタロニトリル

99%

• 別名: α-Methylglutarodinitrile, α-Methylglutaronitrile, 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylpentanedinitrile, Diacrylonitrile
• 化学式: NCCH(CH₃)CH₂CH₂CN
• CAS番号: 4553-62-2
• 分子量: 108.14
• Beilstein: 1741955
• EC Number: 224-923-5
• MDL番号: MFCD00001875
• UNSPSCコード: 12352100
• PubChem Substance ID: 24866765
• NACRES: NA.22

特性

• アッセイ: 99%
• 形状: liquid
• 不純物: <0.1% benzene
• 屈折率: n20/D 1.434 (lit.)
• bp: 269-271 °C (lit.)
• mp: −45 °C (lit.)
• 溶解性: water: soluble
• 密度: 0.95 g/mL at 25 °C (lit.)
• SMILES記法: 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

詳細

詳細

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.

アプリケーション

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

安全性情報

• ピクトグラム: GHS06
• シグナルワード: Danger
• 危険有害性情報: H301 + H311,H330
• 注意書き: P260 - P264 - P271 - P280 - P302 + P352 + P312 - P304 + P340 + P310
• 危険有害性の分類: Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
• 保管分類コード: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• 引火点(°F): 239.0 °F - closed cup
• 引火点(℃): 115 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter