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

• ChemBase编号: 295736
• 分子式: C30H30DyF21O6
• 平均质量: 1048.0220672
• 单一同位素质量: 1049.0998803
• SMILES: CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/[O-].CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/[O-].CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/[O-].[Dy+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-].[Dy+3]
• InChI: InChI=1S/3C10H11F7O2.Dy/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: YGHBDHIMYCLNCZ-VNGPFPIXSA-K

名称和登记号

名称

• IUPAC标准名: dysprosium(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: dysprosium(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- 辛烯二酮)镝(III); Dysprosium-fod; Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)dysprosium(III)

登记号

• CAS号: 18323-98-3
• EC号: 242-213-3
• MDL号: MFCD00010463
• PubChem SID: 180681267
• PubChem CID: 73995065

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: 184-186°C

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 98+%