(1-{2-[bis(3,5-dimethylphenyl)phosphanyl]-5,6,7,8-tetrahydronaphthalen-1-yl}-5,6,7,8-tetrahydronaphthalen-2-yl)bis(3,5-dimethylphenyl)phosphane

• ChemBase编号: 296440
• 分子式: C52H56P2
• 平均质量: 742.948562
• 单一同位素质量: 742.38572505
• SMILES: c1c2c(c(c(c1)P(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c3c(ccc1P(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)CCCC3)CCCC2
• Canonical SMILES: Cc1cc(C)cc(c1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)CCCC2)c1cc(C)cc(c1)C
• InChI: InChI=1S/C52H56P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h17-32H,9-16H2,1-8H3
• InChIKey: MSFLWCTZCJTICH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-{2-[bis(3,5-dimethylphenyl)phosphanyl]-5,6,7,8-tetrahydronaphthalen-1-yl}-5,6,7,8-tetrahydronaphthalen-2-yl)bis(3,5-dimethylphenyl)phosphane
• IUPAC传统名: (1-{2-[bis(3,5-dimethylphenyl)phosphanyl]-5,6,7,8-tetrahydronaphthalen-1-yl}-5,6,7,8-tetrahydronaphthalen-2-yl)bis(3,5-dimethylphenyl)phosphane
• 别名: (R)-(+)-2,2'-二(二-3,5-二甲基苯基膦)-5,5',6,6',7,7',8,8'-八氢-1,1'-联萘; (R)-Xylyl-H8-BINAP; (R)-(+)-2,2'-Bis(di-3,5-xylylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl

登记号

• CAS号: 190003-81-7
• MDL号: MFCD06796646
• PubChem SID: 180681971
• PubChem CID: 11982207

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 16.0346
• LogD (pH = 7.4): 16.0346
• Log P: 16.0346
• 摩尔折射率: 237.618 cm^3
• 极化性: 92.439 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 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
• 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-P501A