2,2,3,3,4,4,5,5-octafluoropentan-1-ol

• ChemBase编号: 98333
• 分子式: C5H4F8O
• 平均质量: 232.0718856
• 单一同位素质量: 232.01344051
• SMILES: OCC(C(F)(F)C(F)(F)C(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
• InChIKey: JUGSKHLZINSXPQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
• 别名: 2,2,3,3,4,4,5,5-八氟-1-戊醇; 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol; 1H,1H,5H-Perfluoro-1-pentanol; 2,2,3,3,4,4,5,5-Octafluoropentan-1-ol; 1H,1H,5H-Perfluoropentan-1-ol 98%; 1,1,5-TRIHYDROPER FLUORO PENTANOL

登记号

• CAS号: 355-80-6
• EC号: 206-593-4
• MDL号: MFCD00039631
• Beilstein号: 1773494
• 默克索引号: 146746
• PubChem SID: 162084777; 24856328
• PubChem CID: 9641

理论计算性质

• Acid pKa: 12.621109
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.0496867
• LogD (pH = 7.4): 2.0496843
• Log P: 2.049687
• 摩尔折射率: 26.8257 cm^3
• 极化性: 10.584523 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: <-50°C
• 沸点: 140-141°C; 141-142 °C(lit.); 141-142°C
• 闪点: 168.8 °F; 75°C; 75°C(167°F); 76 °C
• 密度: 1.667; 1.667 g/mL at 25 °C(lit.)
• 折射率: 1.318; 1.3180; n20/D 1.318(lit.)

安全信息

• 保存注意事项: Irritant
• RTECS编号: SA7650000
• 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: 26-37; 26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H315-H319-H335-H227
• 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: 98%
• 线性分子式: F2CH(CF2)3CH2OH

详细说明

MP Biomedicals - 05216443

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC5350

Surface tension 24.5 dynes/cm/200C;Dissociation constant 4.5 x 10-12

Sigma Aldrich - 269433

包装
100 g in poly bottle