CAS: 79756-81-3; 1-[2-(Trifluoromethyl)Phenyl]Ethanol

• 英文名称1-[2-(Trifluoromethyl)Phenyl]Ethanol
• 中文名称1-(2-三氟甲基苯基)乙醇
• IUPAC名称1-(2-(trifluoromethyl)phenyl)ethan-1-ol
• 其它别名Alfa-甲基-2-三氟甲基苄醇; 1-[2-(Trifluoromethyl)Phenyl]Ethanol
• CAS编号79756-81-3
• MFCD编号:MFCD00004513
• EINECS号:279-252-0
• 分子式:C9H9F3O
• 分子量:190.16
• 产品CID: 1791522
• 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
• InChIKey: VGHBIJJTMFYTPY-UHFFFAOYNA-N
• InChI=1/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点40-42 °C
• 沸点114-115 °C at 2 mmHg
• 闪点89°C
• 密度1.261 g/cm3
• pKa:14.07±0.20(预测)
• PSA:20.23
• LogP:2.7587
• 敏感性远离氧化剂，光照，热，明火，高温，火花，静电电荷，其他点火源
• 外观形态澄清无色液体溶解后
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  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)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级FLAMMABLE
• UN编号UN1987
• 危险品标志Xi,F
• 风险等级Irritant
• 安全声明26-36
• 危险类别码36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 17408-14-9 = 79756-81-3
  反应条件:1.1 Reagents: Isopropanol Catalysts: Ruthenium(2+),Dichloro[μ-[5,5′-Methylenebis[2-[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl-... Solvents: Isopropanol; 10 Min,82 °C1.2 Catalysts: Potassium Isopropoxide Solvents: Isopropanol; 2 Min,82 °C1.3 Reagents: Isopropanol; 0 °C
  标题:Cooperative N-H And Ch2 Skeleton Effects On The Catalytic Activities Of Bimetallic Ru(Ii)-Nnn Complexes: Experimental And Theoretical Study
  作者:Chai,Huining; Et Al
  参考文献:Organometallics 日期:2017 卷标:36(21) 页码:4268-4277]
  
  395-47-1 = 79756-81-3 [标题:Reaction Conditions
  标题:Selection Of Methods For The Unequivocal Synthesis Of Alkynes. Part 3. Arylacetylenes And 1-Arylalk-1-Ynes
  作者:Mesnard,Danielle; Et Al
  参考文献:Journal Of Chemical Research 日期:1981 卷标:(9) 页码:270-1]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Catalysts: Trichlorotris[2-[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl-Kn2)-2-Pyridinyl-Kn]-1H-Benzimi... Solvents: Isopropanol; 10 Min,82 °C1.2 Catalysts: Potassium Isopropoxide Solvents: Isopropanol; 2 Min,82 °C
  标题:Assembled Multinuclear Ruthenium(Ii)-Nnnn Complexes: Synthesis,Catalytic Properties,And Dft Calculations
  作者:Liu,Tingting; Et Al
  参考文献:Organometallics 日期:2020 卷标:39(1) 页码:93-104]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Catalysts: Potassium Carbonate,2637466-92-1 Solvents: Ethanol; 24 H,100 °C
  标题:Transfer Hydrogenation Of Aldehydes And Ketones In Air With Methanol And Ethanol By An Air-Stable Ruthenium-Triazole Complex
  作者:Ghosh,Rahul; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2021 卷标:9(13) 页码:4903-4914]
  
  395-45-9 = 79756-81-3 + 94022-96-5
  反应条件:1.1 Reagents: Iodine,(Dimethyl Sulfide)Trihydroboron Solvents: Carbon Disulfide; 2 H,0 °C; 0 °C -> Rt1.2 5 H,Rt; Rt -> 0 °C1.3 Reagents: Methanol; 0 °C1.4 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 0 °C; 2 H,Rt1.5 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Regioselective Hydroboration-Oxidation And -Amination Of Fluoro-Substituted Styrenes
  作者:Ramachandran,P. Veeraraghavan; Madhi,Sateesh; O'Donnell,Martin J.
  参考文献:Journal Of Fluorine Chemistry 日期:2006 卷标:127(9) 页码:1252-1255]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Catalysts: 2128302-27-0 Solvents: Isopropanol; 10 Min,82 °C1.2 Reagents: Potassium Tert-Butoxide Solvents: Isopropanol; 1 Min,82 °C
  标题:Dimeric Ruthenium(Ii)-Nnn Complex Catalysts Bearing A Pyrazolyl-Pyridylamino-Pyridine Ligand For Transfer Hydrogenation Of Ketones And Acceptorless Dehydrogenation Of Alcohols
  作者:Wang,Qingfu; Et Al
  参考文献:Organometallics 日期:2017 卷标:36(18) 页码:3638-3644]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Reagents: Isopropanol Catalysts: Stereoisomer Of Dichlorobis[2-[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl-Kn2)-2-Pyridinyl-... Solvents: Isopropanol; 10 Min,82 °C1.2 Reagents: Potassium Isopropoxide Solvents: Isopropanol; 1 Min,82 °C
  标题:Exceptionally Active Assembled Dinuclear Ruthenium(Ii)-Nnn Complex Catalysts For Transfer Hydrogenation Of Ketones
  作者:Liu,Tingting; Et Al
  参考文献:Organometallics 日期:2017 卷标:36(15) 页码:2914-2921]
  
  447-61-0 = 79756-81-3
  反应条件:1.1 Solvents: Tetrahydrofuran
  标题:Optically Active Amines. 34. Application Of The Benzene Chirality Rule To Ring-Substituted Phenylcarbinamines And Carbinols
  作者:Pickard,Simeon T.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1990 卷标:112(15) 页码:5741-7]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Catalysts: Stereoisomer Of [μ-[2,6-Bis[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl-Kn2)-2-Pyridinyl-Kn]... Solvents: Isopropanol; 10 - 15 Min,82 °C1.2 Reagents: Potassium Isopropoxide Solvents: Isopropanol; 0.5 Min,82 °C
  标题:Diruthenium(Ii)-Nnn Pincer Complex Catalysts For Transfer Hydrogenation Of Ketones
  作者:Chai,Huining; Et Al
  参考文献:Dalton Transactions 日期:2016 卷标:45(44) 页码:17843-17849]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Reagents: Potassium Isopropoxide Catalysts: 1562543-08-1 Solvents: Isopropanol; 2 Min,0.1 Mpa,28 °C
  标题:Ru(Ii) Pyridyl-Based Nnn Complex Catalysts For (Asymmetric) Transfer Hydrogenation Of Ketones At Room Temperature
  作者:Du,Wangming; Et Al
  参考文献:Cuihua Xuebao 日期:2013 卷标:34(7) 页码:1373-1377]
  
  17408-14-9 = 79756-81-3
  反应条件:1.1 Catalysts: Potassium Carbonate,2637466-92-1 Solvents: Methanol; 18 H,100 °C
  标题:Transfer Hydrogenation Of Aldehydes And Ketones In Air With Methanol And Ethanol By An Air-Stable Ruthenium-Triazole Complex
  作者:Ghosh,Rahul; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2021 卷标:9(13) 页码:4903-4914

海关参考信息

• 2902600000-乙苯
  2906210000-苄醇
  2903399090-其他无环烃卤化衍生物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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