chlorogold; tris(4-methylphenyl)phosphane

• ChemBase编号: 142607
• 分子式: C21H21AuClP
• 平均质量: 536.784751
• 单一同位素质量: 536.07350798
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc(cc1)C.Cl[Au]
• Canonical SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc(cc1)C.[Au]Cl
• InChI: InChI=1S/C21H21P.Au.ClH/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H/q;+1;/p-1
• InChIKey: QHHGSPBDJCGVPV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: chlorogold; tris(4-methylphenyl)phosphane
• IUPAC传统名: gold chloride; tris(4-methylphenyl)phosphane
• 别名: [三(4-甲基苯基)膦]氯化金(I); 氯[三(对甲苯基)膦]金(I); Chloro[tri(4-methylphenyl)phosphine]gold(I); Chloro[tri(p-tolyl)phosphine]gold(I)

登记号

• CAS号: 28978-10-1
• MDL号: MFCD15144864
• PubChem SID: 162236833
• PubChem CID: 15820613

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: 37.638176 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

理化性质

• 熔点: 205-210 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 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: 97%
• Empirical Formula (Hill Notation): C21H21AuClP

详细说明

Sigma Aldrich - 717282

包装
500 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′
Reactant fro synthesis of:
• Phosphine-gold(I) derivatives
• Stable organogold(I) compound - catalyst for cyclization
• Gold(I) acetylide complexes
• Heterometallic gold(I)-rhenium(I) alkynyl complexesInvolved in reactions with unsaturated dimolybdenum anionsReactant for oxidative addition of iodine to gold(I) complexes