2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononane-1,9-diol

• ChemBase编号: 6527
• 分子式: C9H6F14O2
• 平均质量: 412.1203848
• 单一同位素质量: 412.01442451
• SMILES: C(C(CO)(F)F)(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H6F14O2/c10-3(11,1-24)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-25/h24-25H,1-2H2
• InChIKey: XQULMKMNFZLURS-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-tetradecafluorononane-1,9-diol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononane-1,9-diol
• 别名: 1H,1H,9H,9H-全氟-1; 1H,1H,9H,9H-Perfluorononane-1,9-diol 96%; 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol; 1H,1H,9H,9H-Perfluoro-1

登记号

• CAS号: 203303-01-9
• MDL号: MFCD00153275
• PubChem SID: 160969834
• PubChem CID: 2776243

理论计算性质

• Acid pKa: 12.320049
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.6958199
• LogD (pH = 7.4): 3.6958146
• Log P: 3.6958199
• 摩尔折射率: 47.2296 cm^3
• 极化性: 18.685772 Å^3
• 极化表面积: 40.46 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: 108-112°C; 108-112°C
• 沸点: 140°C/5mm; 140°C/5mm

安全信息

• 保存注意事项: Irritant
• TSCA收录: false; 否

产品相关信息

• 纯度: 90%; 9-nonanediol, tech. 90%