tetrasodium tris(peroxol) dicarbonate

• ChemBase编号: 147986
• 分子式: C2H6Na4O12
• 平均质量: 314.02092
• 单一同位素质量: 313.94500276
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].OO.OO.OO.[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].OO.OO.OO.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/2CH2O3.4Na.3H2O2/c2*2-1(3)4;;;;;3*1-2/h2*(H2,2,3,4);;;;;3*1-2H/q;;4*+1;;;/p-4
• InChIKey: MSLRPWGRFCKNIZ-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: tetrasodium tris(peroxol) dicarbonate
• IUPAC传统名: tetrasodium tris(hydrogen peroxide) dicarbonate
• 别名: 过氧碳酸钠加合物; 过氧碳酸钠; 过碳酸钠; Hydrogen peroxide sodium carbonate adduct; Sodium percarbonate; Hydrogen peroxide-Sodium carbonate adduct

登记号

• CAS号: 15630-89-4
• EC号: 239-707-6
• MDL号: MFCD00043204
• PubChem SID: 24863106; 162242166
• PubChem CID: 159762

理论计算性质

• Acid pKa: 6.0525417
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• 摩尔折射率: 31.1724 cm^3
• 极化性: 3.6386902 Å^3
• 极化表面积: 63.19 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: solid

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: FG0750000
• 欧盟危险性物质标志: 氧化性(Oxidising) (O); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3378; UN1479
• 德国WGK号: 1
• 联合国危险货物等级: 5.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 8-22-41; 8-41
• 安全公开号: 17-26-39; 17-26-39-60
• TSCA收录: 是
• GHS危险品标识: GHS03; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H272-H302-H318; H272-H318-H303
• GHS警示性声明: P220-P280-P305 + P351 + P338; P221-P210-P220-P280-P305+P351+P338-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3378 5.1/PG 2

产品相关信息

• 纯度: 13-14% active oxygen
• 级别: CP
• 主要成分: avail. H2O2, 20-30%
• 线性分子式: Na2CO3·1.5H2O2

详细说明

Sigma Aldrich - 371432

包装
2.5 kg in poly bottle
25, 500 g in poly bottle
Application
用于制备光学活性 4-羟基-2-异恶唑啉的多功能试剂。1

参考文献

• Useful, inexpensive oxidant; reviews: Tetrahedron, 51,6145 (1995); Synthesis, 1325 (1995); J. Chem. Soc., Perkin 1, 471 (2000). Examples: Conversion of nitriles to amides: Synth. Commun., 20, 1445 (1990). Cleavage of ɑ-diketones to acids: Synth. Commun., 23, 1183 (1993). Dakin or Baeyer-Villiger reaction (ultrasound-promoted): Tetrahedron Lett., 33, 865 (1992); or (in combination with TFA): Synthesis, 739 (1991). For an extensive review of the Baeyer-Villiger reaction, see: Org. React., 43, 251 (1993).
• Has been used in the presence of a catalytic amount of Pyridinium dichromate, L15132, or Potassium dichromate, A18722, and a phase-transfer catalyst, for the selective oxidation of secondary alcohols to ketones: Tetrahedron Lett., 35, 1989 (1994); Synth. Commun., 25, 2373 (1995).
• Can be used to generate the powerful oxidant peroxytrifluoroacetic acid from trifluoroacetic anhydride, avoiding the use of hazardous 90% hydrogen peroxide. The in situ generated peracid is useful in promoting the Baeyer-Villiger reaction of difficult substrates: Bull. Korean Chem. Soc., 17, 5 (1996).