ol

• ChemBase编号: 147545
• 分子式: C9H16NO2
• 平均质量: 170.22884
• 单一同位素质量: 170.11810376
• SMILES: CC1(CC(=O)CC(N1[O])(C)C)C
• Canonical SMILES: [O]N1C(C)(C)CC(=O)CC1(C)C
• InChI: InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3
• InChIKey: WSGDRFHJFJRSFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 4-氧-2,2,6,6-四甲基-1-哌啶氧自由基; 4-氧-TEMPO; 4-羰基-四甲基哌啶氧自由基; 4-Oxo-2,2,6,6-tetramethyl-1-piperidinyloxy, free radical; 4-Oxo-TEMPO; 4-Oxo-TEMPO, free radical

登记号

• CAS号: 2896-70-0
• EC号: 220-778-7
• MDL号: MFCD00006187
• Beilstein号: 1818579
• PubChem SID: 162241733; 24850816
• PubChem CID: 520789

理论计算性质

• LogD (pH = 7.4): 0.8875258
• Log P: 0.8875258
• 摩尔折射率: 45.9257 cm^3
• 极化性: 18.378075 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• Acid pKa: 19.387045
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.8875258

分子性质

理化性质

• 熔点: 36-40°C

安全信息

• RTECS编号: TN9200000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H400
• GHS警示性声明: P273; P280G-P305+P351+P338
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 96%
• Empirical Formula (Hill Notation): C9H16NO2

详细说明

Sigma Aldrich - 179485

包装
1, 5 g in glass bottle
Application
Free-radical nitroxide spin probe typically used for:
• Redox sources for anodes in lithium secondary batteries1
• Free-radical biological studies2
• Radical spin-trapping3
• Electron paramagnetic resonance studies4
• Polymer chemisty and synthesis applications5

参考文献

• Reviews: Synthesis and reactions of stable nitroxyl radicals: Synthesis, 190, 401 (1971); Advances in the chemistry of nitroxide spin labels: Chem. Rev., 78, 37 (1978); Recent advances in the chemistry of nitroxides and their applications in spin labelling: J. Sci. Ind. Res., 54, 623 (1995).