2-chloro-4,6-bis[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]-1,3,5-triazine

• ChemBase编号: 140548
• 分子式: C21H12ClF26N3O2
• 平均质量: 867.7503632
• 单一同位素质量: 867.02028804
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COc1nc(nc(n1)Cl)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: Clc1nc(OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nc(n1)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C21H12ClF26N3O2/c22-7-49-8(52-5-1-3-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)51-9(50-7)53-6-2-4-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h1-6H2
• InChIKey: CBCNBGCPSUHKHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-4,6-bis[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]-1,3,5-triazine
• IUPAC传统名: 2-chloro-4,6-bis[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]-1,3,5-triazine
• 别名: 2-氯-4,6-双(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬氧基)-1,3,5-三嗪; 2-氯-4,6-双[3-(全氟己基)丙氧基]-1,3,5-三嗪; F26 CDMT; 2-Chloro-4,6-bis(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyloxy)-1,3,5-triazine; 2-Chloro-4,6-bis[3-(perfluorohexyl)propyloxy]-1,3,5-triazine

登记号

• CAS号: 916770-15-5
• MDL号: MFCD09265065
• PubChem SID: 162234792; 24885116
• PubChem CID: 16218247

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 11.420373
• LogD (pH = 7.4): 11.420373
• Log P: 11.420373
• 摩尔折射率: 117.6596 cm^3
• 极化性: 43.66468 Å^3
• 极化表面积: 57.13 Å^2
• 可自由旋转的化学键: 20
• 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
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: 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

产品相关信息

• 纯度: 98% (H-NMR)
• Empirical Formula (Hill Notation): C21H12ClF26N3O2

详细说明

Sigma Aldrich - 672378

包装
1 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。