55624

3-ヒドロキシ-3-メチルブチロニトリル

≥97.0% (GC)

• 別名: β-ヒドロキシイソバレロニトリル
• 化学式: HOC(CH₃)₂CH₂CN
• CAS番号: 13635-04-6
• 分子量: 99.13
• Beilstein: 1738209
• MDL番号: MFCD00043123
• UNSPSCコード: 12352100
• PubChem Substance ID: 57651542
• NACRES: NA.22

特性

• アッセイ: ≥97.0% (GC)
• 屈折率: n20/D 1.430
• bp: 114-116 °C/30 mmHg (lit.)
• 密度: 0.959 g/mL at 20 °C (lit.)
• 官能基: hydroxyl; nitrile
• 保管温度: 2-8°C
• SMILES記法: CC(C)(O)CC#N
• InChI: 1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
• InChI Key: CWPMDJFBWQJRGT-UHFFFAOYSA-N

詳細

詳細

3-Hydroxy-3-methylbutyronitrile is a β-hydroxynitrile. It undergoes thermal degradation in gas phase via a six-membered cyclic transition state.[1] 3-Hydroxy-3-methylbutyronitrile can be synthesized from 2-hydroxy-2-methyl-1-bromopropane.[2]

アプリケーション

3-Hydroxy-3-methylbutyronitrile may be used to synthesize 1,1-dimethylcyanoethyl bromoacetate.[3]

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H302 + H332
• 注意書き: P261 - P264 - P271 - P301 + P312 - P304 + P340 + P312 - P501
• 危険有害性の分類: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• 保管分類コード: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• 引火点(°F): 206.6 °F - closed cup
• 引火点(℃): 97 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter