{4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]phenyl}methanol

• ChemBase编号: 142325
• 分子式: C16H13F13O2
• 平均质量: 484.2524616
• 单一同位素质量: 484.07079652
• SMILES: c1cc(ccc1CO)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCc1ccc(cc1)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16H13F13O2/c17-11(18,6-1-7-31-10-4-2-9(8-30)3-5-10)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5,30H,1,6-8H2
• InChIKey: PLXJZTAXKGDVFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]phenyl}methanol
• IUPAC传统名: {4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]phenyl}methanol
• 别名: 4-(1H,1H,2H,2H,3H,3H-全氟壬基氧)苄醇; 4-[3-(全氟己基)-1-丙氧基]苄醇; 4-(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基氧)苄醇; 4-(1H,1H,2H,2H,3H,3H-Perfluorononyloxy)benzyl alcohol; 4-[3-(Perfluorohexyl)-1-propyloxy]benzyl alcohol; 4-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyloxy)benzyl alcohol

登记号

• CAS号: 957206-65-4
• MDL号: MFCD04973816
• PubChem SID: 24885390; 162236555
• PubChem CID: 53412058

理论计算性质

• Acid pKa: 15.021566
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.8551555
• LogD (pH = 7.4): 5.8551555
• Log P: 5.8551555
• 摩尔折射率: 77.7476 cm^3
• 极化性: 28.826252 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 11
• 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: ≥97.0%
• Empirical Formula (Hill Notation): C16H13F13O2

详细说明

Sigma Aldrich - 67772

包装
1 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 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。