ol

• ChemBase编号: 150241
• 分子式: C10H20NO2
• 平均质量: 186.2713
• 单一同位素质量: 186.14940389
• SMILES: CC1(CC(CC(N1[O])(C)C)OC)C
• Canonical SMILES: COC1CC(C)(C)N(C(C1)(C)C)[O]
• InChI: InChI=1S/C10H20NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8H,6-7H2,1-5H3
• InChIKey: SFXHWRCRQNGVLJ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 95407-69-5
• EC号: 000-000-0
• MDL号: MFCD00270334
• Beilstein号: 4740399
• PubChem SID: 162244402; 24873570
• PubChem CID: 10313435

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.8657486
• LogD (pH = 7.4): 0.8657486
• Log P: 0.8657486
• 摩尔折射率: 51.9258 cm^3
• 极化性: 20.832308 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 39-41°C; 40.5-44 °C(lit.)

安全信息

• 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: 26-36; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99% (HPLC); 97%; 98+%
• 级别: for ESR-spectroscopy
• 主要成分: carbon content, 63.8-65.12% elemental analysis
• Empirical Formula (Hill Notation): C10H20NO2

详细说明

Sigma Aldrich - 514586

包装
5 g in glass bottle

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).
• The oxidation of alcohols to aldehydes has been effected catalytically, in the presence of a stoichiometric cooxidant such as ferricyanide: J. Mol. Catal., 31, 217 (1985), or with hypochlorite in a two-phase system: J. Org. Chem., 52, 2559 (1987). For a review of the use of stable nitroxyl radicals for the oxidation of primary and secondary alcohols, see: Synthesis, 1153 (1996).
• Compare also TEMPO, A12733 and 4-Acetamido-TEMPO, B23456.