(acetyloxy)[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]iodanium acetate

• ChemBase编号: 142121
• 分子式: C20H14F17IO4
• 平均质量: 768.2000844
• 单一同位素质量: 767.96653667
• SMILES: CC(=O)[O-].CC(=O)O[I+]c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CC(=O)O[I+]c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[O-]C(=O)C
• InChI: InChI=1S/C18H11F17IO2.C2H4O2/c1-8(37)38-36-10-4-2-9(3-5-10)6-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35;1-2(3)4/h2-5H,6-7H2,1H3;1H3,(H,3,4)/q+1;/p-1
• InChIKey: SGTQRUYUYBGLJM-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (acetyloxy)[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]iodanium acetate
• IUPAC传统名: (acetyloxy)[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]iodanium acetate
• 别名: 1-(二乙酰氧基碘代)-4-(1H,1H,2H,2H-全氟癸基)苯; 1-(二乙酰氧基碘代)-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苯; 1-(Diacetoxyiodo)-4-(1H,1H,2H,2H-perfluorodecyl)benzene; 1-(Diacetoxyiodo)-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene

登记号

• MDL号: MFCD06798169
• PubChem SID: 24850068; 162236352
• PubChem CID: 71310714

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.546488
• LogD (pH = 7.4): 8.546488
• Log P: 8.546488
• 摩尔折射率: 98.6473 cm^3
• 极化性: 40.677094 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 172-177 °C (D)

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: ≥90%
• 级别: technical
• Empirical Formula (Hill Notation): C20H14F17IO4

详细说明

Sigma Aldrich - 16429

包装
1 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 的产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 和 6,673,539 的保护。