2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol

• ChemBase编号: 9755
• 分子式: C8H3F15O
• 平均质量: 400.084868
• 单一同位素质量: 399.99443802
• SMILES: C(CO)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2
• InChIKey: PJDOLCGOTSNFJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol
• IUPAC传统名: pentadecafluoro-1-octanol
• 别名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十五氟-1-辛醇; 1H,1H-全氟-1-辛醇; 1H,1H-Pentadecafluoro-1-octanol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol; 1H,1H-Perfluoro-1-octanol; 1H,1H-Perfluorooctan-1-ol 98%

登记号

• CAS号: 307-30-2
• EC号: 206-197-1
• MDL号: MFCD00004675
• Beilstein号: 1716494
• PubChem SID: 160973062; 24855589
• PubChem CID: 67543

理论计算性质

• Acid pKa: 12.621079
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.6403756
• LogD (pH = 7.4): 4.6403728
• Log P: 4.6403756
• 摩尔折射率: 41.7194 cm^3
• 极化性: 16.498053 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

• 熔点: 36.5-40°C; 36-37°C; 43-47°C; 44-47 °C(lit.)
• 沸点: 160-162°C; 160-162°C; 163-165 °C(lit.); 163-165°C
• 闪点: >110°C; >110°C(230°F); 110 °C; 230 °F
• 密度: 1.338; 1.388
• 折射率: 1.3080; 1.3084

安全信息

• 保存注意事项: IRRITANT; Irritant
• 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: 26-36; 26-37
• TSCA收录: true; 是
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%; 98%
• 线性分子式: CF3(CF2)6CH2OH

详细说明

Sigma Aldrich - 257451

包装
5, 25 g in glass bottle