tris(nonadecafluorononyl)-1,3,5-triazine

• ChemBase编号: 99861
• 分子式: C30F57N3
• 平均质量: 1485.2500824
• 单一同位素质量: 1484.91820556
• SMILES: n1c(nc(nc1C(F)(F)C(C(C(F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87
• InChIKey: RTAZGRONMASOMW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(nonadecafluorononyl)-1,3,5-triazine
• IUPAC传统名: tris(nonadecafluorononyl)-1,3,5-triazine
• 别名: 2,4,6-三(七氟丙基)-1,3,5-三嗪, 质谱标准.; 2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine; 2,4,6-Tris(perfluorononyl)-1,3,5-triazine; 2,4,6-Tris(perfluorononyl)-1,3,5-triazine, Mass Spec Std

登记号

• CAS号: 57101-59-4
• EC号: 260-560-9
• MDL号: MFCD00042440
• PubChem SID: 162086108
• PubChem CID: 636356

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 22.953638
• LogD (pH = 7.4): 22.953638
• Log P: 22.953638
• 摩尔折射率: 151.4574 cm^3
• 极化性: 59.1912 Å^3
• 极化表面积: 38.67 Å^2
• 可自由旋转的化学键: 27
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 82-84°C; 82-84°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: 否

详细说明

Apollo Scientific Ltd - PC7912

Mass Spectrometry standard