CAS: 880-78-4; 1,2,3,4,5-Pentafluoro-6-Nitrobenzene

• 英文名称1,2,3,4,5-Pentafluoro-6-Nitrobenzene
• 中文名称五氟硝基苯
• IUPAC名称1,2,3,4,5-pentafluoro-6-nitrobenzene
• 其它别名2,3,4,5,6-五氟硝基苯; 1,2,3,4,5-Pentafluoro-6-Nitrobenzene
• CAS编号880-78-4
• MFCD编号:MFCD00007049
• EINECS号:212-915-4
• FDA UNII编号:H2E9EAQ44S
• 分子式:C6F5NO2
• 分子量:213.06
• 产品CID: 1889774
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考
• InChIKey: INUOFQAJCYUOJR-UHFFFAOYSA-N
• InChI=1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点-22.65 °C
• 沸点158-161 °C at 760 mmHg
• 闪点90.6±0.0 °C
• 密度1.7±0.1 g/cm3
• PSA:43.14
• LogP:2.2903
• 折射率1.448
• 蒸汽压3.2±0.2 mmHg at 25°C
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态无色至黄色透明液体
• 储存条件密封, 常温干燥保存
• 产品应用医药,农药,液晶材料中间体.
• 性质描述沸点158°C-161°C,闪点90°C,折光率1.4470,比重1.061.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
• 防范说明P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501
• 危险品标志Xi
• 风险等级Irritant
• 安全声明26-36/37/39
• 危险类别码36/37/38
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 1206-46-8 = 880-78-4
  反应条件:1.1 Reagents: 1,2-Benzisothiazol-3(2H)-One,2-Nitro-,1,1-Dioxide Catalysts: Magnesium Triflate Solvents: Acetonitrile; 22 H,85 °C
  标题:Catalytic Ipso-Nitration Of Organosilanes Enabled By Electrophilic N-Nitrosaccharin Reagent
  作者:Mosiagin,Ivan; Et Al
  参考文献:Angewandte Chemie 日期:2023 卷标:62(41)]
  
  1423-13-8 = 880-78-4
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:Aromatic Fluoro Derivatives. Xcv. The Investigation Of The Behavior Of The Polyfluoroaromatic Compounds Containing Group Va Elements In Acid Media
  作者:Furin,G. G.; Et Al
  参考文献:Journal Of Fluorine Chemistry 日期:1983 卷标:22(4) 页码:345-75]
  
  344-07-0 + 75-77-4 = 880-78-4
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 30 Min,-78 °C1.2 -78 °C; Overnight,-78 °C -> Rt2.1 Reagents: 1,2-Benzisothiazol-3(2H)-One,2-Nitro-,1,1-Dioxide Catalysts: Magnesium Triflate Solvents: Acetonitrile; 22 H,85 °C
  标题:Catalytic Ipso-Nitration Of Organosilanes Enabled By Electrophilic N-Nitrosaccharin Reagent
  作者:Mosiagin,Ivan; Et Al
  参考文献:Angewandte Chemie 日期:2023 卷标:62(41)]
  
  5272-26-4 = 880-78-4 + 5272-26-4
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Acetonitrile2.1 Reagents: Nitronium Tetrafluoroborate Solvents: Acetonitrile
  标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
  作者:Frohn,H. J.; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9]
  
  5272-26-4 = 880-78-4 + 5272-26-4
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Acetonitrile2.1 Reagents: Nitronium Tetrafluoroborate Solvents: Acetonitrile
  标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
  作者:Frohn,H. J.; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9]
  
  771-60-8 = 880-78-4
  反应条件:1.1 Reagents: Acetonitrile,Water,Fluorine; 1 H,Rt1.2 Solvents: Acetonitrile; 5 H,Rt
  标题:Sequential Continuous Flow Processes For The Oxidation Of Amines And Azides By Using Hof.Mecn
  作者:Mcpake,Christopher B.; Et Al
  参考文献:Chemsuschem 日期:2012 卷标:5(2) 页码:312-319]
  
  363-72-4 = 880-78-4
  反应条件:1.1 Reagents: Nitronium Tetrafluoroborate Solvents: Sulfolane
  标题:Effect Of Electrophilic Agents On Polyfluoroaromatic Compounds. Xix. Factors Determining The Product Ratio In Hydrogen Substitution And Ipso Addition In Reactions Of Partially Fluorinated Benzene Derivatives With Nitrating Reagents
  作者:Shtark,A. A.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1986 卷标:22(4) 页码:831-7]
  
  = 880-78-4 + 5272-26-4
  反应条件:1.1 Reagents: Nitronium Tetrafluoroborate Solvents: Acetonitrile
  标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
  作者:Frohn,H. J.; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9]
  
  63400-36-2 = 880-78-4 + 65-85-0
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride,Hydrogen Peroxide Solvents: Dichloromethane
  标题:Fluoroaromatic Derivatives. Cii. Oxidation Of Fluorinated Benzylidene Anilines With Peracids
  作者:Furin,G. G.; Et Al
  参考文献:Journal Of Fluorine Chemistry 日期:1985 卷标:28(1) 页码:23-35]
  
  853-75-8 = 880-78-4 + 602-94-8
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride,Hydrogen Peroxide Solvents: Dichloromethane
  标题:Fluoroaromatic Derivatives. Cii. Oxidation Of Fluorinated Benzylidene Anilines With Peracids
  作者:Furin,G. G.; Et Al
  参考文献:Journal Of Fluorine Chemistry 日期:1985 卷标:28(1) 页码:23-35]
  
  = 880-78-4 + 602-94-8
  反应条件:1.1 Reagents: Potassium Iodide Solvents: Chloroform2.1 Reagents: Trifluoroacetic Anhydride,Hydrogen Peroxide Solvents: Dichloromethane
  标题:Fluoroaromatic Derivatives. Cii. Oxidation Of Fluorinated Benzylidene Anilines With Peracids
  作者:Furin,G. G.; Et Al
  参考文献:Journal Of Fluorine Chemistry 日期:1985 卷标:28(1) 页码:23-35]
  
  1109-15-5 + 51-92-3 = 880-78-4 + 5272-26-4
  反应条件:1.1 Solvents: Dichloromethane2.1 Reagents: Potassium Fluoride Solvents: Acetonitrile3.1 Reagents: Nitronium Tetrafluoroborate Solvents: Acetonitrile
  标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
  作者:Frohn,H. J.; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9

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