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

• ChemBase编号: 149361
• 分子式: C30H30ErF21O6
• 平均质量: 1052.7810672
• 单一同位素质量: 1051.1009993
• SMILES: CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O[Er](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[Er](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.Er/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: DVVPWGWHENFRIG-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]erbio}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]erbio}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-辛二酮酸)铒(III); 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮酸)铒; Er(fod)3; Erbium(III)-tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate); Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)erbium; Resolve-Al™ ErFOD

登记号

• CAS号: 17978-75-5
• MDL号: MFCD00074990
• PubChem SID: 24860051; 162243528
• PubChem CID: 71311409

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: 62.742947 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: 157-163 °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%
• Empirical Formula (Hill Notation): C30H30ErF21O6

详细说明

Sigma Aldrich - 332771

包装
1 g in glass bottle
法律信息
Resolve-Al 商标 Sigma-Aldrich Co. LLC