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

• ChemBase编号: 99859
• 分子式: C24F45N3
• 平均质量: 1185.205044
• 单一同位素质量: 1184.93736692
• SMILES: n1c(nc(nc1C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69
• InChIKey: BFAUAMWYFFXWLX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(pentadecafluoroheptyl)-1,3,5-triazine
• IUPAC传统名: tris(pentadecafluoroheptyl)-1,3,5-triazine
• 别名: 2,4,6-三(七氟丙基)-1,3,5-三嗪, 质谱标准.; 2,4,6-三(十五氟庚基)-1,3,5-三嗪; 2,4,6-三(全氟庚基)-1,3,5-三嗪; Tris(perfluoroheptyl)-1,3,5-triazine; 2,4,6-Tris(perfluoroheptyl)-1,3,5-triazine, Mass Spec Std; 2,4,6-Tris(perfluoroheptyl)-1,3,5-triazine; 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine

登记号

• CAS号: 21674-38-4
• EC号: 244-521-3
• MDL号: MFCD00042439
• Beilstein号: 741791
• PubChem SID: 24862027; 162086106
• PubChem CID: 550641

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 18.371002
• LogD (pH = 7.4): 18.371002
• Log P: 18.371002
• 摩尔折射率: 123.4494 cm^3
• 极化性: 47.686954 Å^3
• 极化表面积: 38.67 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 26-29 °C(lit.); 29-31°C; 30°C
• 沸点: 150°C/1.5mm; 150°C/1.5mm
• 闪点: none°C

安全信息

• 保存注意事项: Irritant
• 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
• TSCA收录: 否
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C24F45N3

详细说明

Apollo Scientific Ltd - PC7910

Mass Spectrometry standard

Sigma Aldrich - 358797

包装
100 mg in glass bottle