hexakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine

• ChemBase编号: 93340
• 分子式: C42H18F72N3O6P3
• 平均质量: 2121.4151334
• 单一同位素质量: 2120.92587704
• SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COP1(=NP(=NP(=N1)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
• Canonical SMILES: FC(C(C(C(C(C(COP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(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)(F)F)F
• InChI: InChI=1S/C42H18F72N3O6P3/c43-7(44)19(67,68)31(91,92)37(103,104)25(79,80)13(55,56)1-118-124(119-2-14(57,58)26(81,82)38(105,106)32(93,94)20(69,70)8(45)46)115-125(120-3-15(59,60)27(83,84)39(107,108)33(95,96)21(71,72)9(47)48,121-4-16(61,62)28(85,86)40(109,110)34(97,98)22(73,74)10(49)50)117-126(116-124,122-5-17(63,64)29(87,88)41(111,112)35(99,100)23(75,76)11(51)52)123-6-18(65,66)30(89,90)42(113,114)36(101,102)24(77,78)12(53)54/h7-12H,1-6H2
• InChIKey: LKVZJNTYGYODLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine
• IUPAC传统名: hexakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine
• 别名: Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazene 97%

登记号

• CAS号: 3830-74-8
• MDL号: MFCD00798143
• PubChem SID: 162080025
• PubChem CID: 2775073

理论计算性质

• Acid pKa: 19.087809
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 23.663385
• LogD (pH = 7.4): 23.663385
• Log P: 23.663385
• 摩尔折射率: 240.372 cm^3
• 极化性: 94.40079 Å^3
• 极化表面积: 92.46 Å^2
• 可自由旋转的化学键: 48
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 28-32°C
• 闪点: none°C

安全信息

• 保存注意事项: Irritant