dotetracontafluoroicosane

• ChemBase编号: 7895
• 分子式: C20F42
• 平均质量: 1038.1469344
• 单一同位素质量: 1037.93293524
• SMILES: C(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(F)(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)(F)F)(F)F)(F)F
• Canonical SMILES: FC(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(C(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/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62
• InChIKey: WSXNCJNDCDTRSA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dotetracontafluoroicosane
• IUPAC传统名: dotetracontafluoroicosane
• 别名: 全氟二十碳烷; Perfluoroeicosane; Perfluoroeicosane 97%; Perfluoroeicosane

登记号

• CAS号: 37589-57-4
• EC号: 253-557-9
• MDL号: MFCD00000438
• PubChem SID: 24856295; 160971202
• PubChem CID: 520855

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 14.693286
• LogD (pH = 7.4): 14.693286
• Log P: 14.693286
• 摩尔折射率: 96.8932 cm^3
• 极化性: 39.310368 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 160-163°C; 162-165°C; 162-165°C; 164-166 °C(lit.)
• 沸点: 320°C
• 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: 26-37/39
• TSCA收录: false; 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: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%
• 线性分子式: CF3(CF2)18CF3

详细说明

Apollo Scientific Ltd - PC6004

Mass spectrometry standard

Sigma Aldrich - 268828

Application
质谱标准品。
包装
250 mg in glass bottle