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326475-46-1 分子结构
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dichloropalladium; bis(tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane)

ChemBase编号:157765
分子式:C96H48Cl2F102P2Pd
平均质量:3378.5189684
单一同位素质量:3376.0014446
SMILES和InChIs

SMILES:
c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl[Pd]Cl
Canonical SMILES:
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)P(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F.FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)P(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F.Cl[Pd]Cl
InChI:
InChI=1S/2C48H24F51P.2ClH.Pd/c2*49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99;;;/h2*1-12H,13-18H2;2*1H;/q;;;;+2/p-2
InChIKey:
KONKDVXTNQEYIF-UHFFFAOYSA-L

引用这个纪录

CBID:157765 http://www.chembase.cn/molecule-157765.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
dichloropalladium; bis(tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane)
IUPAC传统名
palladium chloride; bis(tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane)
别名
双[三(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苯基)膦]二氯化钯(II)
双[三(4-(1H,1H,2H,2H-全氟癸基)苯基)膦]二氯化钯(II)
Bis[tris(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)phosphine]palladium(II) dichloride
Bis[tris(4-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride
CAS号
326475-46-1
MDL号
MFCD03453279
PubChem SID
162251902
PubChem CID
11491915

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
Sigma Aldrich
95447 external link 加入购物车 请登录
数据来源 数据ID
PubChem 11491915 external link

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 26.6247  LogD (pH = 7.4) 26.6247 
Log P 26.6247  摩尔折射率 225.9712 cm3
极化性 83.9591 Å3 极化表面积 0.0 Å2
可自由旋转的化学键 66  里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
熔点
175-180 °C expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
纯度
≥80% (AAS) expand 查看数据来源
级别
technical expand 查看数据来源
Empirical Formula (Hill Notation)
C96H48Cl2F102P2Pd expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  95447 external link
Application
氟两相体系 (FBS) 中的 Stille 和 Suzuki 偶联反应的催化剂
General description
最多包含·20% 三(4-(1H,1H,2H,2H-全氟癸基)苯基)膦氧化物
Other Notes
全氟标记 Pd 络合物,作为氟两相体系中 Stille 偶联反应、1,2钯催化 Suzuki 偶联反应的催化剂。3
包装
100, 500 mg in glass bottle

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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