chlorogold; tris(2-methylphenyl)phosphane

• ChemBase编号: 142654
• 分子式: C21H21AuClP
• 平均质量: 536.784751
• 单一同位素质量: 536.07350798
• SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Au]
• Canonical SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Au]
• InChI: InChI=1S/C21H21P.Au.ClH/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;;1H/q;+1;/p-1
• InChIKey: VECXLHSTZNCQLD-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: chlorogold; tris(2-methylphenyl)phosphane
• IUPAC传统名: gold chloride; tris(2-methylphenyl)phosphane
• 别名: [三(2-甲基苯基)膦]氯化金(I); 氯[三(邻甲苯基)膦]金(I); [Tri(2-methylphenyl)phosphine]gold(I) chloride; Chloro[tri(o-tolyl)phosphine]gold(I)

登记号

• CAS号: 83076-07-7
• MDL号: MFCD14155882
• PubChem SID: 162236880
• PubChem CID: 15397758

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.5082
• LogD (pH = 7.4): 6.5082
• Log P: 6.5082
• 摩尔折射率: 96.7465 cm^3
• 极化性: 37.639748 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 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: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39
• 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: 95%
• Empirical Formula (Hill Notation): C21H21AuClP

详细说明

Sigma Aldrich - 717460

包装
500 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′
Catalyst for:
• Alkylation of silyl enol ethers with orthoalkynylbenzoic acid esters
• Cycloisomerization
• Cyclization of 1,6-enynes
• Tandem [3,3]-sigmatropic rearrangement-cycloisomerization cascade
• Cycloaddition of enyne derivatives with aryl alkynes or alkenes