{2-[2-(diphenylphosphanyl)-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl}diphenylphosphane

• ChemBase编号: 301180
• 分子式: C40H36O4P2
• 平均质量: 642.658962
• 单一同位素质量: 642.20888289
• SMILES: COc1cc(c(c(c1)P(c1ccccc1)c1ccccc1)c1c(cc(cc1P(c1ccccc1)c1ccccc1)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1ccccc1)c1ccccc1)c1c(OC)cc(cc1P(c1ccccc1)c1ccccc1)OC
• InChI: InChI=1S/C40H36O4P2/c1-41-29-25-35(43-3)39(37(27-29)45(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40-36(44-4)26-30(42-2)28-38(40)46(33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3
• InChIKey: YSQIPQZYSQJPNL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[2-(diphenylphosphanyl)-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl}diphenylphosphane
• IUPAC传统名: {2-[2-(diphenylphosphanyl)-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl}diphenylphosphane
• 别名: (R)-Phenyl-Garphos; (R)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine); (R)-2,2'-Bis(diphenylphosphino)-4,4',6,6'-tetramethoxybiphenyl; (S)-Phenyl-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine); (S)-2,2'-Bis(diphenylphosphino)-4,4',6,6'-tetramethoxybiphenyl

登记号

• CAS号: 1365531-76-5; 1365531-75-4
• MDL号: MFCD19443622

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 8.8402
• LogD (pH = 7.4): 8.8402
• Log P: 8.8402
• 摩尔折射率: 188.1768 cm^3
• 极化性: 75.240654 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501

产品相关信息

• 纯度: 97+%