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

• ChemBase编号: 140549
• 分子式: C29H19F17O
• 平均质量: 706.4334144
• 单一同位素质量: 706.11644497
• SMILES: c1ccc(cc1)C(c1ccccc1)(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
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)C(c1ccccc1)(c1ccccc1)O)F
• InChI: InChI=1S/C29H19F17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-15-17-11-13-20(14-12-17)22(47,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,47H,15-16H2
• InChIKey: ONXVYKQEANDRAX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylmethanol
• IUPAC传统名: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylmethanol
• 别名: 1-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)-苯基]-1,1-二苯基甲醇; 1-[4-(1H,1H,2H,2H-全氟癸基)苯基)-1,1-二苯基甲醇; F17 Trityl OH; 1-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluordecyl)-phenyl]-1,1-diphenylmethanol; 1-[4-(1H,1H,2H,2H-Perfluorodecyl)phenyl)-1,1-diphenylmethanol

登记号

• CAS号: 649561-66-0
• MDL号: MFCD09750443
• PubChem SID: 24885118; 162234793
• PubChem CID: 16218249

理论计算性质

• Acid pKa: 12.756282
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 10.925254
• LogD (pH = 7.4): 10.925252
• Log P: 10.925254
• 摩尔折射率: 131.4276 cm^3
• 极化性: 47.647766 Å^3
• 极化表面积: 20.23 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: 76-80 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 38
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 98% (HPLC)
• Empirical Formula (Hill Notation): C29H19F17O

详细说明

Sigma Aldrich - 672475

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。