bis(dicyclohexyl({2-[2,4,6-tris(propan-2-yl)phenyl]phenyl})phosphane) (acetyloxy)palladio acetate

• ChemBase编号: 135712
• 分子式: C70H104O4P2Pd
• 平均质量: 1177.939882
• 单一同位素质量: 1176.64447107
• SMILES: CC(C)c1cc(c(c(c1)C(C)C)c1ccccc1P(C1CCCCC1)C1CCCCC1)C(C)C.CC(C)c1cc(c(c(c1)C(C)C)c1ccccc1P(C1CCCCC1)C1CCCCC1)C(C)C.CC(=O)O[Pd]OC(=O)C
• Canonical SMILES: CC(c1cc(cc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)C(C)C)C(C)C)C.CC(c1cc(cc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)C(C)C)C(C)C)C.CC(=O)O[Pd]OC(=O)C
• InChI: InChI=1S/2C33H49P.2C2H4O2.Pd/c2*1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;2*1-2(3)4;/h2*13-14,19-25,27-28H,7-12,15-18H2,1-6H3;2*1H3,(H,3,4);/q;;;;+2/p-2
• InChIKey: DGOVZEZYDRSUGK-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(dicyclohexyl({2-[2,4,6-tris(propan-2-yl)phenyl]phenyl})phosphane) (acetyloxy)palladio acetate
• IUPAC传统名: bis(xphos) (acetyloxy)palladio acetate
• 别名: ChemDose™，Pd(OAc)2-X-Phos(Pd:P 1:2) 浸渍片剂; ChemDose™，乙酸钯(II)-X-Phos(Pd:P 1:2) 浸渍片剂; 乙酸钯(II)-X-Phos(Pd:P 1:2)，ChemDose™ 片剂; ChemDose™, Palladium(II) acetate-X-Phos(Pd:P 1:2) impregnated tablets; ChemDose™, Pd(OAc)2-X-Phos(Pd:P 1:2) impregnated tablets; Palladium(II) acetate-X-Phos(Pd:P 1:2), ChemDose™ tablets

登记号

• MDL号: MFCD11045397
• PubChem SID: 162229985
• PubChem CID: 71309389

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.071707
• LogD (pH = 7.4): 10.197986
• Log P: 10.3948
• 摩尔折射率: 151.7063 cm^3
• 极化性: 61.180626 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 40
• 安全公开号: 36/37
• GHS危险品标识: GHS05; GHS08
• GHS警示词: Danger
• GHS危险声明: H318-H351
• GHS警示性声明: P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 基质: Magnesium aluminometasilicate base material

详细说明

Sigma Aldrich - 694061

法律信息
ChemDose 商标 Reaxa Ltd.