392898

2-Propanol-1,1,1,3,3,3-d₆

99 atom % D

• 別名: Isopropanol-1,1,1,3,3,3-d₆, Isopropyl-1,1,1,3,3,3-d₆ alcohol
• 化学式: (CD₃)₂CHOH
• CAS番号: 3976-29-2
• 分子量: 66.13
• Beilstein: 1699397
• MDL番号: MFCD00144521
• UNSPSCコード: 12142201
• PubChem Substance ID: 24864492
• NACRES: NA.21

特性

• 同位体純度: 99 atom % D
• 品質水準: 200
• アッセイ: 99% (CP)
• フォーム: liquid
• テクニック: NMR: suitable
• 屈折率: n20/D 1.374 (lit.)
• bp: 82 °C (lit.)
• mp: -90 °C (lit.)
• 密度: 0.86 g/mL at 25 °C
• 質量シフト: M+6
• SMILES記法: [2H]C([2H])([2H])C(O)C([2H])([2H])[2H]
• InChI: 1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
• InChI Key: KFZMGEQAYNKOFK-WFGJKAKNSA-N

詳細

詳細

2-Propanol-1,1,1,3,3,3-d₆ is 2-propanol with the hydrogen atoms on the –CH₃ groups replaced by deuterium. It has been reported to be synthesized by the reduction of per-deuterioacetone.[1] Studies show that it exists in anti and gauche conformation.[2]

アプリケーション

2-Propanol-1,1,1,3,3,3-d₆ may be used in the synthesis of isotopomers of isopropylformate.[3]

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安全性情報

• ピクトグラム: GHS02,GHS07
• シグナルワード: Danger
• 危険有害性情報: H225,H319,H336
• 注意書き: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• 危険有害性の分類: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• ターゲットの組織: Central nervous system
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 1
• 引火点(°F): 60.8 °F - closed cup
• 引火点(℃): 16 °C - closed cup