1,1,2,2,3,3,4,4-octafluoro-5-iodopentane

• ChemBase编号: 7714
• 分子式: C5H3F8I
• 平均质量: 341.9690156
• 单一同位素质量: 341.91517386
• SMILES: C(C(C(C(CI)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICC(C(C(C(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H3F8I/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1H2
• InChIKey: YMGYSVVJRMSEGU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
• IUPAC传统名: 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
• 别名: 1,1,2,2,3,3,4,4-八氟-5-碘戊烷; 1,1,2,2,3,3,4,4-Octafluoro-5-iodopentane; 1H,1H,5H-Octafluoro-1-iodopentane; 1H,1H,5H-1-Iodooctafluoropentane; 1H,1H,5H-Octafluoropentyl iodide 98%

登记号

• CAS号: 678-74-0
• MDL号: MFCD00039406
• PubChem SID: 160971021; 24870942
• PubChem CID: 2775883

理论计算性质

• Acid pKa: 19.790722
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.6354427
• LogD (pH = 7.4): 3.6354427
• Log P: 3.6354427
• 摩尔折射率: 38.3733 cm^3
• 极化性: 15.356345 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 136-137°C; 81-82 °C/120 mmHg(lit.)
• 闪点: none°C
• 密度: 2.009; 2.037; 2.061 g/mL at 25 °C(lit.)
• 折射率: 1.384; n20/D 1.38(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: 98%
• 线性分子式: ICH2(CF2)3CHF2

详细说明

Sigma Aldrich - 473898

包装
2 g in glass bottle
500 mg in glass bottle