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

• ChemBase编号: 94636
• 分子式: C10H4CuF12O5
• 平均质量: 495.6625984
• 单一同位素质量: 494.91630937
• SMILES: FC(C(=O)/C=C(\[O-])/C(F)(F)F)(F)F.O.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Cu+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.O.[Cu+2]
• InChI: InChI=1S/2C5H2F6O2.Cu.H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1,12H;;1H2/q;;+2;/p-2
• InChIKey: SREVICRJIZZXHD-UHFFFAOYSA-L

名称和登记号

名称

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

登记号

• CAS号: 155640-85-0; 14781-45-4
• EC号: 238-850-1
• MDL号: MFCD00151019
• PubChem SID: 162081290
• PubChem CID: 15860928

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

• 熔点: 130-134°C; ca 100°C
• 沸点: 220°C

安全信息

• 保存注意事项: Hygroscopic; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98%