λ2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloromethane dichloropalladium

• ChemBase编号: 140389
• 分子式: C35H30Cl4FeP2Pd
• 平均质量: 816.637222
• 单一同位素质量: 813.89610844
• SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.C(Cl)Cl.Cl[Pd]Cl.[Fe+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.ClCCl.Cl[Pd]Cl.[Fe+2]
• InChI: InChI=1S/2C17H14P.CH2Cl2.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3;;;;/h2*1-14H;1H2;2*1H;;/q2*-1;;;;2*+2/p-2
• InChIKey: SNRCKKQHDUIRIY-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloromethane dichloropalladium
• IUPAC传统名: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) methylene chloride palladium chloride
• 别名: [1,1′-双(二苯基膦)二茂铁]二氯化钯(II)二氯甲烷络合物; ChemDose™，[1,1′-双(二苯基膦)二茂铁]二氯化钯(II)二氯甲烷络合物浸渍片剂; [1,1′-双(二苯基膦)二茂铁]二氯化钯(II)二氯甲烷络合物，ChemDose™ 片剂; Pd(dppf)Cl2 · CH2Cl2; Pd(dppf)Cl2 · DCM; [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium(II), complex with dichloromethane; [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium(II) (1:1); ChemDose™, [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium(II )complex with dichloromethane impregnated tablets; [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium(II) complex with dichloromethane, ChemDose™ tablets

登记号

• CAS号: 95464-05-4
• MDL号: MFCD00792899
• PubChem SID: 162234633; 24863679
• PubChem CID: 54587906

理论计算性质

• Log P: 5.308
• 摩尔折射率: 77.2799 cm^3
• 极化性: 30.728716 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
• Acid pKa: 13.124334
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7805
• LogD (pH = 7.4): 3.7804992

分子性质

理化性质

• 熔点: 275-280 °C

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: 20/21/22-36/37/38; 20/21/22-36/37/38-40
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H302 + H312 + H332-H315-H319-H335; H302-H312-H315-H319-H332-H335-H351
• GHS警示性声明: P261-P280-P305 + P351 + P338

产品相关信息

• 基质: Magnesium aluminometasilicate base material
• Empirical Formula (Hill Notation): C35H30Cl4FeP2Pd

详细说明

Sigma Aldrich - 379670

Analysis Note
催化剂，用于芳基卤化物和双(频哪醇合)二硼 (473294) 的硼化反应，以及芳基硼酯衍生物和芳基卤化物偶联生成联芳基化合物的反应。1也可用于 CO 插入反应合成内酰胺2以及芳基卤化物和醇的分子内偶联反应合成中环芳基醚。3
包装
1, 5, 25 g in glass bottle
Application
Application Guide for Palladium Catalyzed Cross-Coupling Reactions

Sigma Aldrich - 685127

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
法律信息
ChemDose 商标 Reaxa Ltd.