1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

• ChemBase编号: 141070
• 分子式: C16H21O3P
• 平均质量: 292.309901
• 单一同位素质量: 292.12283116
• SMILES: CC12CC3(OC(O1)(CC(O2)(P3c1ccccc1)C)C)C
• Canonical SMILES: CC12CC3(C)OC(P2c2ccccc2)(CC(O1)(O3)C)C
• InChI: InChI=1S/C16H21O3P/c1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
• InChIKey: AVVSJWUWBATQBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.1^3,^7]decane
• IUPAC传统名: 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.1^3,^7]decane
• 别名: 1,3,5,7-四甲基-8-苯基-2,4,6-三氧杂-8-磷杂三环[3.3.1.13,7]癸烷; 1,3,5,7-四甲基-6-苯基-2,4,8-三氧杂-6-磷酰金刚烷; meCgPPh; 1,3,5,7-Tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; 1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane

登记号

• CAS号: 97739-46-3
• PubChem SID: 162235305
• PubChem CID: 53427790

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.0348
• LogD (pH = 7.4): 5.0348
• Log P: 5.0348
• 摩尔折射率: 77.2324 cm^3
• 极化性: 31.356274 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 106-111 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C16H21O3P

详细说明

Sigma Aldrich - 695459

包装
2 g in glass bottle
500 mg in glass bottle