di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane

• ChemBase编号: 140362
• 分子式: C31H48OP2
• 平均质量: 498.659742
• 单一同位素质量: 498.31803942
• SMILES: CC1(c2cccc(c2Oc2c1cccc2P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C)C
• Canonical SMILES: CC1(C)c2cccc(c2Oc2c1cccc2P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
• InChIKey: ZEIZANJFJXHMNS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane
• IUPAC传统名: di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethylxanthen-4-yl]phosphane
• 别名: 4,5-二(二-叔丁基膦)-9,9-二甲基氧杂蒽; 4,5-二(二叔丁基膦)-9,9-二甲基氧杂蒽; 4,5-Bis(di-tert-butylphosphino)-9,9-dimethylxanthene; t-Bu-Xantphos; 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene

登记号

• CAS号: 856405-77-1
• MDL号: MFCD07781995
• PubChem SID: 162234606; 24884891
• PubChem CID: 16218202

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.9547625
• LogD (pH = 7.4): 7.001143
• Log P: 7.0018
• 摩尔折射率: 162.7379 cm^3
• 极化性: 60.348167 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 153-157 °C; 153-157°C

安全信息

• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%; 99%
• 线性分子式: (C15H12O)(P(C4H9)2)2

详细说明

Sigma Aldrich - 667196

包装
1 g in glass bottle
500 mg in glass bottle