1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane

• ChemBase编号: 7258
• 分子式: C6H4F9I
• 平均质量: 373.9860588
• 单一同位素质量: 373.92140211
• SMILES: FC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
• InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
• 别名: 1H,1H,2H,2H-全氟碘代己烷; 1,1,2,2-四氢全氟己基碘; 1-碘-1H,1H,2H,2H,-全氟己烷; 2-(Perfluorobutyl)ethyl iodide; 1-Iodo-1H,1H,2H,2H-perfluorohexane; 1H,1H,2H,2H-Perfluorohexyl iodide 95%; 1H,1H,2H,2H-Perfluorohexyl iodide; 1H,1H,2H,2H-Perfluorohexyl iodide; 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane; 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane; 1H,1H,2H,2H-Perfluoro-1-iodohexane

登记号

• CAS号: 2043-55-2
• EC号: 218-055-6
• MDL号: MFCD00039409
• Beilstein号: 1870862
• PubChem SID: 160970565; 24846064
• PubChem CID: 74887

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.779115
• LogD (pH = 7.4): 4.779115
• Log P: 4.779115
• 摩尔折射率: 43.4504 cm^3
• 极化性: 17.119223 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -25°C; -25°C
• 沸点: 138-140°C; 138-140°C
• 闪点: >110°C; >110°C(230°F)
• 密度: 1.94; 1.94 g/mL at 20 °C(lit.); 1.940
• 折射率: 1.3700; 1.3702; 1.374; n20/D 1.370

安全信息

• 保存注意事项: IRRITANT; Irritant/Light Sensitive/Store under Argon/Keep Cold; Light Sensitive
• 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; 26-37
• TSCA收录: false; 是
• 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; P280G-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: ≥95.0% (GC); 97%; 98%
• 级别: technical
• Empirical Formula (Hill Notation): C6H4F9I