(4-{5-[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl]-2H-1,3-benzodioxol-4-yl}-2H-1,3-benzodioxol-5-yl)bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane; bis(chlorogold)

• ChemBase编号: 142606
• 分子式: C74H100Au2Cl2O8P2
• 平均质量: 1644.367622
• 单一同位素质量: 1642.56018478
• SMILES: CC(C)(C)c1cc(cc(c1OC)C(C)(C)C)P(c1ccc2c(c1c1c(ccc3c1OCO3)P(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)OCO2)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C.Cl[Au].Cl[Au]
• Canonical SMILES: COc1c(cc(cc1C(C)(C)C)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)OCO2)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)C(C)(C)C.Cl[Au].Cl[Au]
• InChI: InChI=1S/C74H100O8P2.2Au.2ClH/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24;;;;/h29-40H,41-42H2,1-28H3;;;2*1H/q;2*+1;;/p-2
• InChIKey: JGHSUBIXHAXFOD-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: (4-{5-[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl]-2H-1,3-benzodioxol-4-yl}-2H-1,3-benzodioxol-5-yl)bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane; bis(chlorogold)
• IUPAC传统名: (4-{5-[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl]-2H-1,3-benzodioxol-4-yl}-2H-1,3-benzodioxol-5-yl)bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane; bis(gold chloride)
• 别名: (R)-DTBM-SEGPHOS®(AuCl)2; (R)-DTBM-SEGPHOS® (AuCl)2

登记号

• MDL号: MFCD16621433
• PubChem SID: 162236832
• PubChem CID: 11622314

理论计算性质

• 摩尔折射率: 349.0378 cm^3
• 极化性: 138.4536 Å^3
• 极化表面积: 73.84 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false
• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 21.2264
• LogD (pH = 7.4): 21.2264
• Log P: 21.2264

分子性质

理化性质

• 熔点: 292-296 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 24/25-26-45
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C74H100Au2Cl2O8P2

详细说明

Sigma Aldrich - 714968

包装
100 mg in glass bottle
法律信息
SEGPHOS 注册商标 Takasago Intl. Corp.