3,3,4,4,5,5,6,6-octafluoro-1,8-diiodooctane

• ChemBase编号: 8830
• 分子式: C8H8F8I2
• 平均质量: 509.9452856
• 单一同位素质量: 509.85877202
• SMILES: C(CC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)I
• Canonical SMILES: ICCC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H8F8I2/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h1-4H2
• InChIKey: IGGDHHHKQANRAY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6-octafluoro-1,8-diiodooctane
• IUPAC传统名: 3,3,4,4,5,5,6,6-octafluoro-1,8-diiodooctane
• 别名: 1,8-Diiodo-1H,1H,2H,2H,7H,7H,8H,8H-perfluorooctane; 1,8-Diiodo-3,3,4,4,5,5,6,6-octafluorooctane 97%; 1,8-Diiodo-3,3,4,4,5,5,6,6-octafluorooctane

登记号

• CAS号: 2681-00-7
• MDL号: MFCD00153129
• PubChem SID: 160972137
• PubChem CID: 2737097

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.0752277
• LogD (pH = 7.4): 6.0752277
• Log P: 6.0752277
• 摩尔折射率: 64.6956 cm^3
• 极化性: 25.866789 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 91-93°C

安全信息

• 保存注意事项: TOXIC; Toxic
• TSCA收录: false

产品相关信息

• 纯度: 97%