cobalt(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

• ChemBase编号: 94631
• 分子式: C10H2CoF12O4
• 平均质量: 473.0345184
• 单一同位素质量: 472.90934218
• SMILES: FC(C(=O)/C=C(\[O-])/C(F)(F)F)(F)F.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Co+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Co+2]
• InChI: InChI=1S/2C5H2F6O2.Co/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2
• InChIKey: GGFHUVMHYHJASX-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: cobalt(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate); λ^2-cobalt(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
• IUPAC传统名: cobalt(2+) bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate); λ^2-cobalt(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
• 别名: 六氟乙酰丙酮钴(II)水合物; Cobalt(II) hexafluoroacetylacetonate 97%; Cobalt(II) hexafluoroacetylacetonate; Bis(1,1,1,5,5,5-hexafluoroacetylacetonato)cobalt(II); Cobalt(II) hexafluoro-2,4-pentanedionate hydrate

登记号

• CAS号: 19648-83-0
• MDL号: MFCD00042510
• PubChem SID: 162081285
• PubChem CID: 5702842

理论计算性质

• Acid pKa: 3.7387822
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.31378
• LogD (pH = 7.4): -1.2143137
• Log P: 2.0751166
• 摩尔折射率: 40.9013 cm^3
• 极化性: 10.132205 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder
• 熔点: 173-179°C; 197°C

安全信息

• 保存注意事项: Toxic
• 欧盟危险性物质标志: X
• 危险公开号: 36/37/38-40-43
• 安全公开号: 24-26-36/37
• TSCA收录: 否
• GHS危险品标识: GHS07; GHS08
• GHS危险声明: H351-H315-H319-H317-H335
• GHS警示性声明: P280H-P262-P305+P351+P338

产品相关信息

• 纯度: 97%