bis({1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene}dichloropalladium)

• ChemBase编号: 144218
• 分子式: C54H72Cl4N4Pd2
• 平均质量: 1131.82828
• 单一同位素质量: 1128.25808104
• SMILES: CC(C)c1cccc(c1n1ccn(c1=[Pd](Cl)Cl)c1c(cccc1C(C)C)C(C)C)C(C)C.CC(C)c1cccc(c1n1ccn(c1=[Pd](Cl)Cl)c1c(cccc1C(C)C)C(C)C)C(C)C
• Canonical SMILES: CC(c1cccc(c1n1ccn(c1=[Pd](Cl)Cl)c1c(cccc1C(C)C)C(C)C)C(C)C)C.CC(c1cccc(c1n1ccn(c1=[Pd](Cl)Cl)c1c(cccc1C(C)C)C(C)C)C(C)C)C
• InChI: InChI=1S/2C27H36N2.4ClH.2Pd/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;;;;;/h2*9-16,18-21H,1-8H3;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: TXCXGICCIUAGJY-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: bis({1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene}dichloropalladium)
• IUPAC传统名: bis([1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]dichloropalladium)
• 别名: CX 41; Dichloro[1,3-bis(diisopropylphenyl)-2-imidazolidinylidene]palladium(II) dimer; [(SIPr)PdCl2]2; Dichloro[1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene]palladium(II) dimer

登记号

• CAS号: 444910-17-2
• MDL号: MFCD09039100

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 11.341298
• LogD (pH = 7.4): 11.3413
• Log P: 11.3413
• 摩尔折射率: 139.5239 cm^3
• 极化性: 56.737907 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 331 °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: 26
• 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
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C54H72Cl4N4Pd2

详细说明

Sigma Aldrich - 725463

包装
1 g in glass bottle
250 mg in glass bottle
Legal Information
Sold in cooperation with Umicore for research purposes only.US Patent 6,316,380, EP 721 953, and foreign equivalents apply.