ytterbium(3+) ion tris((3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)

• ChemBase编号: 303424
• 分子式: C30H30F21O6Yb
• 平均质量: 1058.5760672
• 单一同位素质量: 1059.1095683
• SMILES: CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.[Yb+3]
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].[Yb+3]
• InChI: InChI=1S/3C10H11F7O2.Yb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-
• InChIKey: KZBQCXBCJMHJOB-VNGPFPIXSA-K

名称和登记号

名称

• IUPAC标准名: ytterbium(3+) ion tris((3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
• IUPAC传统名: ytterbium(3+) ion tris((3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
• 别名: 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮)镱(III); Ytterbium-fod; Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)ytterbium(III)

登记号

• CAS号: 18323-96-1
• EC号: 242-211-2
• MDL号: MFCD00044289

理论计算性质

• Acid pKa: 7.5973406
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.140154
• LogD (pH = 7.4): 3.930218
• Log P: 4.14361
• 摩尔折射率: 62.9295 cm^3
• 极化性: 18.621073 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 108-111°C

安全信息

• 保存注意事项: Hygroscopic
• TSCA收录: 否

产品相关信息

• 纯度: 99% (metals basis)