6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]praseodymio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one

• ChemBase编号: 138219
• 分子式: C30H30F21O6Pr
• 平均质量: 1026.4297172
• 单一同位素质量: 1026.0783583
• SMILES: CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O[Pr](O/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)(C)C
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(\C(C)(C)C)/O[Pr](O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C
• InChI: InChI=1S/3C10H11F7O2.Pr/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
• InChIKey: GZFHBLZCACQJBL-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: 6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]praseodymio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
• IUPAC传统名: 6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]praseodymio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
• 别名: 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮)镨(III); Rondeau 试剂; 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮)镨(III); 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮酸)镨; Praseodymium(III) tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate); Pr(fod)3; Praseodymium(III) tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate); Rondeau’s Reagent; Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium; Resolve-Al™ PrFOD

登记号

• CAS号: 17978-77-7
• EC号: 241-902-6
• MDL号: MFCD00064656
• PubChem SID: 24849923; 162232477; 24887810
• PubChem CID: 71310120

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 13.5285
• LogD (pH = 7.4): 13.5285
• Log P: 13.5285
• 摩尔折射率: 153.4944 cm^3
• 极化性: 61.9638 Å^3
• 极化表面积: 78.9 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 215-219 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99%
• 级别: purum
• 线性分子式: Pr(OCC(CH3)3CHCOCF2CF2CF3)3

详细说明

Sigma Aldrich - 161357

法律信息
Resolve-Al 商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 81505

Other Notes
NMR 位移试剂1；用于羟醛反应的 Lewis 催化剂2
法律信息
Resolve-Al 商标 Sigma-Aldrich Co. LLC