5-({1,13-dihydroxy-7-[(5-hydroxy-1,1,3,3,5,5-hexaoxotrimolybdoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexamolybdatridecan-7-yl}oxy)-3,3,5,5-tetraoxotrimolybdoxan-1-oylol

• ChemBase编号: 143159
• 分子式: H4Mo12O40Si
• 平均质量: 1823.61326
• 单一同位素质量: 1846.66970746
• SMILES: O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Si](O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)(O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O
• Canonical SMILES: O=[Mo](=O)(O[Mo](=O)(=O)O[Mo](=O)(=O)O)O[Si](O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)(O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O
• InChI: InChI=1S/12Mo.O4Si.4H2O.32O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;4*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;8*+1;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-4
• InChIKey: LMAWUDMBHTZUCF-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: 5-({1,13-dihydroxy-7-[(5-hydroxy-1,1,3,3,5,5-hexaoxotrimolybdoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexamolybdatridecan-7-yl}oxy)-3,3,5,5-tetraoxotrimolybdoxan-1-oylol
• IUPAC传统名: 5-({1,13-dihydroxy-7-[(5-hydroxy-1,1,3,3,5,5-hexaoxotrimolybdoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexamolybdatridecan-7-yl}oxy)-3,3,5,5-tetraoxotrimolybdoxan-1-oylol
• 别名: 硅钼酸 溶液; Silicomolybdic acid solution

登记号

• CAS号: 11089-20-6
• MDL号: MFCD00054151

理论计算性质

• Acid pKa: -2.6019893
• 质子受体: 28
• 质子供体: 4
• LogD (pH = 5.5): -16.83519
• LogD (pH = 7.4): -16.8352
• Log P: -7.78
• 摩尔折射率: 61.0904 cm^3
• 极化性: 89.3285 Å^3
• 极化表面积: 601.36 Å^2
• 可自由旋转的化学键: 24
• 里宾斯基五规则: false

分子性质

理化性质

• 密度: 1.156 g/mL at 25 °C
• 折射率: n20/D 1.376

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
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H315-H319-H331-H335
• GHS警示性声明: P261-P305 + P351 + P338-P311

产品相关信息

• 线性分子式: H4SiO4 · 12MoO3

详细说明

Sigma Aldrich - 708348

包装
25, 125 g in poly bottle
Application
Reactant for:
• Use in electrostatic synthesis of compounds comprising ultrathin layers of silicododecamolybdate anions and poly(allyl ammonium) cations1
• Preparation of charge transfer compounds with Keggin anions and 2,2′-biquinolinium2