3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol

• ChemBase编号: 7265
• 分子式: C8H5F13O
• 平均质量: 364.1039416
• 单一同位素质量: 364.01328164
• SMILES: FC(C(C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
• InChIKey: GRJRKPMIRMSBNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
• 别名: 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛醇; 1H,1H,2H,2H-全氟-1-辛醇; 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛醇; 1H,1H,2H,2H-全氟-1-辛醇; 1H,1H,2H,2H-全氟辛醇; 2-(Perfluorohex-1-yl)ethan-1-ol; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol; 1H,1H,2H,2H-Tridecafluorooctan-1-ol 97+%; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol; 1H,1H,2H,2H-Perfluoro-1-octanol; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol; 1H,1H,2H,2H-Perfluoro-1-octanol; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol; 1H,1H,2H,2H-Perfluorooctanol; 1H,1H,2H,2H-Perfluorooctan-1-ol

登记号

• CAS号: 647-42-7
• EC号: 211-477-1
• MDL号: MFCD00042143
• Beilstein号: 1992757
• PubChem SID: 24863074; 160970572; 24887167
• PubChem CID: 69537

理论计算性质

• Acid pKa: 15.763865
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.210036
• LogD (pH = 7.4): 4.210036
• Log P: 4.210036
• 摩尔折射率: 41.5032 cm^3
• 极化性: 16.159771 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 88-95 °C/28 mmHg(lit.); 90°C/20mm; 91-93°C/36mm
• 闪点: 195.8 °F; 91 °C; 91°C; 91°C(195°F)
• 密度: 1.651 g/mL at 25 °C(lit.); 1.678; 1.68; 1.680
• 折射率: 1.314; 1.3140; n20/D 1.313(lit.); n20/D 1.317

安全信息

• 保存注意事项: IRRITANT; Irritant
• RTECS编号: RH1460000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 23-26-36/37-60; 26
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335-H227; H315-H319-H335
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥97.0% (GC); 95+%; 97%
• 级别: purum
• 线性分子式: CF3(CF2)5CH2CH2OH

详细说明

Sigma Aldrich - 370533

包装
5, 25 g in glass bottle