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

• ChemBase编号: 142209
• 分子式: C17H11F17O
• 平均质量: 554.2414944
• 单一同位素质量: 554.05384471
• SMILES: c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
• Canonical SMILES: OCc1ccc(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
• InChI: InChI=1S/C17H11F17O/c18-10(19,6-5-8-1-3-9(7-35)4-2-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4,35H,5-7H2
• InChIKey: CQOQAOKSHAECHG-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]methanol
• IUPAC传统名: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methanol
• 别名: 4-(1H,1H,2H,2H-全氟癸基)苄醇; 4-十七氟癸基苄醇; 4-(1H,1H,2H,2H-Perfluorodecyl)benzyl alcohol; 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzyl alcohol

登记号

• CAS号: 356055-77-1
• MDL号: MFCD03788346
• PubChem SID: 162236439; 24851702
• PubChem CID: 16211438

理论计算性质

• Acid pKa: 15.050114
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.492772
• LogD (pH = 7.4): 7.492772
• Log P: 7.492772
• 摩尔折射率: 80.99 cm^3
• 极化性: 29.957846 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 81-85 °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: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97%
• Empirical Formula (Hill Notation): C17H11F17O

详细说明

Sigma Aldrich - 19563

包装
1, 5 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。