1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro-5-iododecane

• ChemBase编号: 10336
• 分子式: C10H3F18I
• 平均质量: 592.0065476
• 单一同位素质量: 591.89920606
• SMILES: C(C(C(C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: IC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H3F18I/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2(29)4(13,14)6(17,18)8(21,22)10(26,27)28/h2H,1H2
• InChIKey: ZDRHSXVFEQIXGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro-5-iododecane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro-5-iododecane
• 别名: 1-Iodo-1,2-bis(perfluoro-n-butyl)ethane; 5H,6H,6H-5-Iodoperfluorodecane; 1-Iodo-1,2-bis(perfluoro-n-butyl)ethane 97%

登记号

• CAS号: 53638-10-1
• MDL号: MFCD00153197
• PubChem SID: 160973643
• PubChem CID: 2775154

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.5998244
• LogD (pH = 7.4): 7.5998244
• Log P: 7.5998244
• 摩尔折射率: 62.7561 cm^3
• 极化性: 24.903614 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 85.5°C/25mm

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%