N-({[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]carbonyl}imino)[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]formamide

• ChemBase编号: 142172
• 分子式: C20H12F26N2O4
• 平均质量: 838.2787632
• 单一同位素质量: 838.03819059
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)/N=N/C(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(/N=N/C(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C20H12F26N2O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-1-5-51-7(49)47-48-8(50)52-6-2-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-6H2
• InChIKey: DYPPJKHPJMGHKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]carbonyl}imino)[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]formamide
• IUPAC传统名: N-({[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]carbonyl}imino)[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]formamide
• 别名: 双(1H,1H,2H,2H,3H,3H-全氟壬基)偶氮基二羧酸酯; 双(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基)偶氮基二羧酸酯; Bis(1H,1H,2H,2H,3H,3H-perfluorononyl) azodicarboxylate; Bis(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl) azodicarboxylate

登记号

• CAS号: 462996-01-6
• MDL号: MFCD06411718
• PubChem SID: 24885759; 162236402
• PubChem CID: 11983698

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 9.673545
• LogD (pH = 7.4): 9.673545
• Log P: 9.673545
• 摩尔折射率: 105.8 cm^3
• 极化性: 40.692455 Å^3
• 极化表面积: 77.32 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 56-60 °C

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
• 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: ≥90%
• Empirical Formula (Hill Notation): C20H12F26N2O4

详细说明

Sigma Aldrich - 68333

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