1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane

• ChemBase编号: 11997
• 分子式: C9H6F13I
• 平均质量: 488.0276516
• 单一同位素质量: 487.93066505
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)C
• Canonical SMILES: CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3
• InChIKey: REPFTMOJFHVIBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
• 别名: 2-Iodo-1H,1H,1H,2H,3H,3H-perfluorononane

登记号

• CAS号: 38550-34-4
• MDL号: MFCD00156018
• PubChem SID: 160975304
• PubChem CID: 2778812

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.493198
• LogD (pH = 7.4): 6.493198
• Log P: 6.493198
• 摩尔折射率: 57.2544 cm^3
• 极化性: 22.535986 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

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%