3-oxo-1,1,1,5,5,5-hexaphenyl-3-[(triphenylsilyl)oxy]-2,4-dioxa-1,5-disila-3-vanadapentane

• ChemBase编号: 143167
• 分子式: C54H45O4Si3V
• 平均质量: 893.1307
• 单一同位素质量: 892.20652402
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O[V](=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=[V](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C18H15OSi.O.V/c3*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;;/q3*-1;;+3
• InChIKey: WSQFWIWHGOUAEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-oxo-1,1,1,5,5,5-hexaphenyl-3-[(triphenylsilyl)oxy]-2,4-dioxa-1,5-disila-3-vanadapentane
• IUPAC传统名: 3-oxo-1,1,1,5,5,5-hexaphenyl-3-[(triphenylsilyl)oxy]-2,4-dioxa-1,5-disila-3-vanadapentane
• 别名: 三(三苯基硅氧基)氧化钒; NSC 349960; Oxotris(triphenylsilanolato) vanadium; Triphenylsilanol vanadate; Tris(triphenylsiloxy)vanadium oxide

登记号

• CAS号: 18822-50-9
• MDL号: MFCD00301697
• PubChem SID: 162237388
• PubChem CID: 336296

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 16.283
• LogD (pH = 7.4): 16.283
• Log P: 16.283
• 摩尔折射率: 234.7622 cm^3
• 极化性: 101.72006 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 224-226 °C

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: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C54H45O4Si3V

详细说明

Sigma Aldrich - 717452

包装
1 g in glass bottle
Application
Catalyst for:
• Dual catalyst system for Meyer-Schuster rearrangement1
• Esterification2
• Addition of propargyl alcohols and imines3 or aldehydes4
• Photochemical polymerization of Me methacylate5