chlorogold; tris[4-(trifluoromethyl)phenyl]phosphane

• ChemBase编号: 135481
• 分子式: C21H12AuClF9P
• 平均质量: 698.6989198
• 单一同位素质量: 697.98871167
• SMILES: c1cc(ccc1C(F)(F)F)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.Cl[Au]
• Canonical SMILES: FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F.[Au]Cl
• InChI: InChI=1S/C21H12F9P.Au.ClH/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30;;/h1-12H;;1H/q;+1;/p-1
• InChIKey: UNHMCLFZEQKHCQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: chlorogold; tris[4-(trifluoromethyl)phenyl]phosphane
• IUPAC传统名: gold chloride; tris[4-(trifluoromethyl)phenyl]phosphane
• 别名: [三(对三氟甲基苯基)膦]氯化金(I); 氯[三(对三氟甲基苯基)膦]金(I); [Tris(para-trifluoromethylphenyl)phosphine]gold(I) chloride; Chloro[tris(para-trifluoromethylphenyl)phosphine]gold(I)

登记号

• CAS号: 385815-83-8
• MDL号: MFCD08705285
• PubChem SID: 24884720; 162229755
• PubChem CID: 11433970

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.755
• LogD (pH = 7.4): 7.755
• Log P: 7.755
• 摩尔折射率: 99.544 cm^3
• 极化性: 35.810246 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

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 99%
• Empirical Formula (Hill Notation): C21H12AuClF9P

详细说明

Sigma Aldrich - 665177

包装
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′