2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol

• ChemBase编号: 7704
• 分子式: C9H4F16O
• 平均质量: 432.1019112
• 单一同位素质量: 432.00066627
• SMILES: C(CO)(C(C(C(C(C(C(C(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(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2
• InChIKey: MSXVQELLSMPBFD-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-hexadecafluorononan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol
• 别名: 1H,1H,9H-十六氟-1-壬醇; 1H,1H,9H-十六氟壬醇; 1H,1H,9H-Hexadecafluoro-1-nonanol; 1H,1H,9H-Perfluorononan-1-ol 90%; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol; 1H,1H,9H-Hexadecafluoro-1-nonanol; 1H,1H,9H-Perfluoro-1-nonanol

登记号

• CAS号: 376-18-1
• EC号: 206-806-0
• MDL号: MFCD00039629
• Beilstein号: 1808149
• PubChem SID: 24872007; 160971011
• PubChem CID: 9779

理论计算性质

• Acid pKa: 12.621079
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.8522577
• LogD (pH = 7.4): 4.852255
• Log P: 4.8522577
• 摩尔折射率: 45.4977 cm^3
• 极化性: 18.23207 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 53-59 °C(lit.); 53-60°C; 55-60°C; 60-65°C
• 沸点: 155-156 °C/200 mmHg(lit.); 155-158°C/200mm; 157-158°C/200mm; 157-158°C/200mm
• 闪点: none°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• RTECS编号: RA7905000
• 德国WGK号: 2
• TSCA收录: true; 是
• GHS危险声明: H303
• GHS警示性声明: P312
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 96%; 97%
• 线性分子式: H(CF2)8CH2OH

详细说明

Apollo Scientific Ltd - PC4530

Contains upto 10% H(CF2CF2)nCHOH(CF2CF2)mH where m+n=4.