hexadecafluorodecanedinitrile

• ChemBase编号: 9735
• 分子式: C10F16N2
• 平均质量: 452.0948512
• 单一同位素质量: 451.98059953
• SMILES: C(#N)C(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F16N2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28
• InChIKey: BQBPZGPUHIVSAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexadecafluorodecanedinitrile
• IUPAC传统名: hexadecafluorodecanedinitrile
• 别名: Hexadecafluorodecane-1,10-dinitrile; Hexadecafluorooctane-1,10-dicarbonitrile; Perfluorosebaconitrile 97%; Perfluorosebaconitrile

登记号

• CAS号: 2342-09-8
• MDL号: MFCD00042366
• PubChem SID: 160973042
• PubChem CID: 2776365

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.457288
• LogD (pH = 7.4): 5.457288
• Log P: 5.457288
• 摩尔折射率: 49.7412 cm^3
• 极化性: 19.202787 Å^3
• 极化表面积: 47.58 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 147-148°C
• 闪点: none°C
• 密度: 1.673
• 折射率: 1.3039

安全信息

• 保存注意事项: IRRITANT-HARMFUL; Toxic/Harmful
• TSCA收录: false

产品相关信息

• 纯度: 97%