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

• 品質水準: 100
• アッセイ: 99%
• フォーム: 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.)
• 官能基: nitrile
• 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.[1] It is formed as a byproduct during the synthesis of adiponitrile.[2] 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.[3] Its core electron binding energy (CEBE) has been calculated via density functional theory (DFT).[4] It has been reported to undergo hydrolysis catalyzed by nitrilase to form 4-cyanopentanoic acid.[5][6]

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.[7]

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