bis(N-aurio-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide); toluene; bis(triphenylphosphane)

• ChemBase编号: 135568
• 分子式: C47H38Au2F12N2O8P2S4
• 平均质量: 1570.9346804
• 单一同位素质量: 1570.01259809
• SMILES: Cc1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)[Au].C(F)(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)[Au]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.Cc1ccccc1
• InChI: InChI=1S/2C18H15P.C7H8.2C2F6NO4S2.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h2*1-15H;2-6H,1H3;;;;/q;;;2*-1;2*+1
• InChIKey: SIVCTOVPPFSWEF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(N-aurio-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide); toluene; bis(triphenylphosphane)
• IUPAC传统名: bis(N-aurio-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide); toluene; bis(triphenylphosphine)
• 别名: [双(三氟甲烷磺酰)亚胺](PPh3)金(I)(2:1)甲苯加合物; [双(三氟甲烷磺酰)亚胺](三苯基膦)金(I)(2:1)甲苯加合物; [Bis(trifluoromethanesulfonyl)imidate](PPh3)gold(I) (2:1) toluene adduct; [Bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I) (2:1) toluene adduct

登记号

• MDL号: MFCD09038445
• PubChem SID: 162229842; 24885406
• PubChem CID: 16218327

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• 摩尔折射率: 81.6229 cm^3
• 极化性: 32.34495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3

产品相关信息

• 线性分子式: (C20H15AuF6NO4PS2) 2 · C7H8

详细说明

Sigma Aldrich - 677922

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