(2-{2-[bis(4-methylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methylphenyl)phosphane

• ChemBase编号: 301669
• 分子式: C44H44O4P2
• 平均质量: 698.765282
• 单一同位素质量: 698.27148315
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1cc(cc(c1c1c(cc(cc1P(c1ccc(cc1)C)c1ccc(cc1)C)OC)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1ccc(cc1)C)c1ccc(cc1)C)c1c(OC)cc(cc1P(c1ccc(cc1)C)c1ccc(cc1)C)OC
• InChI: InChI=1S/C44H44O4P2/c1-29-9-17-35(18-10-29)49(36-19-11-30(2)12-20-36)41-27-33(45-5)25-39(47-7)43(41)44-40(48-8)26-34(46-6)28-42(44)50(37-21-13-31(3)14-22-37)38-23-15-32(4)16-24-38/h9-28H,1-8H3
• InChIKey: JXFDRZQHVPTIMH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{2-[bis(4-methylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methylphenyl)phosphane
• IUPAC传统名: (2-{2-[bis(4-methylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methylphenyl)phosphane
• 别名: (R)-Tolyl-Garphos; (R)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(di-p-tolylphosphine); (R)-2,2'-Bis(di-p-tolylphosphino)-4,4',6,6'-tetramethoxybiphenyl; (S)-Tolyl-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(di-p-tolylphosphine); (S)-2,2'-Bis(di-p-tolylphosphino)-4,4',6,6'-tetramethoxybiphenyl

登记号

• MDL号: MFCD19443623

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 10.709
• LogD (pH = 7.4): 10.709
• Log P: 10.709
• 摩尔折射率: 208.3416 cm^3
• 极化性: 82.3037 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+%