2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol

• ChemBase编号: 8300
• 分子式: C11H3F21O
• 平均质量: 550.1073872
• 单一同位素质量: 549.98485734
• SMILES: C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2
• InChIKey: MPAMAEMOVKLPRB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
• 别名: 1H,1H-全氟辛基-1-醇; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecan-1-ol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoro-1-hydroxyundecane; 1H,1H-Perfluoroundecan-1-ol 95+%; UNDECANOL-5; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoro-1-undecanol; 1H,1H-Perfluoroundecan-1-ol

登记号

• CAS号: 307-46-0
• MDL号: MFCD00153269
• PubChem SID: 24868300; 160971607
• PubChem CID: 2776412

理论计算性质

• Acid pKa: 12.621079
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.7423034
• LogD (pH = 7.4): 6.742301
• Log P: 6.7423034
• 摩尔折射率: 55.7234 cm^3
• 极化性: 22.248459 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 102-105 °C(lit.); 102-105°C
• 沸点: 143 °C/80 mmHg(lit.); 143°C/80mm

安全信息

• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 95%
• 线性分子式: CF3(CF2)9CH2OH

详细说明

MP Biomedicals - 05223186

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 446858

包装
5 g in glass bottle