2,5-dioxopyrrolidin-1-yl [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate

• ChemBase编号: 142207
• 分子式: C22H14F17NO5
• 平均质量: 695.3231144
• 单一同位素质量: 695.06005229
• SMILES: c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)OCc1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C22H14F17NO5/c23-15(24,8-7-10-1-3-11(4-2-10)9-44-14(43)45-40-12(41)5-6-13(40)42)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h1-4H,5-9H2
• InChIKey: DLEHONFUGNNFOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate
• 别名: N-[4-(1H,1H,2H,2H-全氟癸基)苄氧基羰基氧]琥珀酰亚胺; N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苄氧基羰基氧]琥珀酰亚胺; N-[4-(1H,1H,2H,2H-Perfluorodecyl)benzyloxycarbonyloxy]succinimide; N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl) benzyloxycarbonyloxy]succinimide

登记号

• CAS号: 556050-49-8
• MDL号: MFCD04973831
• PubChem SID: 162236437; 24848952
• PubChem CID: 11083007

理论计算性质

• Acid pKa: 17.634148
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 7.77688
• LogD (pH = 7.4): 7.77688
• Log P: 7.77688
• 摩尔折射率: 107.5498 cm^3
• 极化性: 40.669754 Å^3
• 极化表面积: 72.91 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97.0% (NMR)
• Empirical Formula (Hill Notation): C22H14F17NO5

详细说明

Sigma Aldrich - 14944

包装
1, 5 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 的产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 和 6,673,539 的保护。