CAS: 828-27-3; 4-(Trifluoromethoxy)Phenol

• 英文名称4-(Trifluoromethoxy)Phenol
• 中文名称4-(三氟甲氧基)苯酚
• IUPAC名称4-(trifluoromethoxy)phenol
• 其它别名对羟基三氟甲氧基苯; 4-Hydroxyphenyl Trifluoromethyl Ether
• CAS编号828-27-3
• MFCD编号:MFCD00040988
• EINECS号:212-583-0
• 分子式:C7H5F3O2
• 分子量:178.11
• 产品CID: 1818378
• 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: WDRJNKMAZMEYOF-UHFFFAOYSA-N
• InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点17-18 °C
• 沸点92°C at 25 mmHg
• 闪点187°F
• 密度1.375 g/mL at 25 °C(文献)
• pKa:9.30±0.13(预测)
• PSA:29.46
• LogP:2.2908
• 折射率n 20/D 1.447(文献)
• 溶解性Chloroform, Methanol
• 外观形态透明棕色液体
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用该化合物用作酯类催化对应选择性合成.
• 性质描述白色晶体,密度1.375,沸点80°C(15毫米汞柱),折射率1.446-1.448,闪点86°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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
  严重眼损伤 类别1
  急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  皮肤腐蚀 类别1A
  皮肤腐蚀 类别1B
  水生慢性毒性 类别3
  皮肤腐蚀 类别1C
  急性毒性 类别2(吸入)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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.
  H318 |造成严重眼损伤.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H314 |造成严重皮肤灼伤和眼损伤.
  H412 |对水生生物有害并具有长期持续影响.
  H330 |吸入致命.
• 防范说明P210-P260-P264-P270-P273-P280-P301+P330+P331-P304+P340-P330-P363-P370+P378-P403-P405-P501
• 危险等级8 (6.1)
• UN编号2922.0
• 危险品标志Xn,Xi
• 风险等级Irritant
• 包装等级Ⅱ
• 安全声明26-27-36/37/39
• 危险类别码20/21/22-36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 P-Trifluoromethoxy Phenol 主要起始原料 4-Trifluoromethoxyphenylboronic Acid
• 139301-27-2 = 828-27-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Iron Oxide (Fe2O3) Solvents: Tetrahydrofuran; Rt1.2 Reagents: Water
  标题:Ligand- And Base-Free Synthesis Of Phenols By Rapid Oxidation Of Arylboronic Acids Using Iron(Iii) Oxide
  作者:Sawant,Sanghapal D.; Et Al
  参考文献:Tetrahedron Letters 日期:2014 卷标:55(4) 页码:811-814]
  
  2035508-27-9 = 828-27-3
  反应条件:1.1 Reagents: Water Catalysts: Sodium Cyanide Solvents: Ethanol; 12 H,50 °C
  标题:An Efficient And Chemoselective Deprotection Of Aryl Tert-Butyldimethylsilyl (Tbdms) Ethers By Nacn
  作者:Qiao,Xue-Jun; Et Al
  参考文献:Journal Of The Brazilian Chemical Society 日期:2016 卷标:27(5) 页码:899-904]
  
  1800-70-0 = 828-27-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Preparation Of (Trifluoromethoxy)Phenols From Bis[(Trifluoromethoxy)Phenyl] Carbonates
  参考文献:Japan]
  
  37181-39-8 = 828-27-3
  反应条件:1.1 Reagents: Sodium Acetate,Water Catalysts: Cuprous Chloride Solvents: Dimethylformamide; 2 H,40 °C
  标题:Copper-Catalyzed Synthesis Of Phenol And Diaryl Ether Derivatives Via Hydroxylation Of Diaryliodoniums
  作者:Ye,Lianbao; Et Al
  参考文献:Rsc Advances 日期:2019 卷标:9(37) 页码:21525-21529]
  
  = 828-27-3
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 1 H,60 °C
  标题:2-(Trimethylsilyl)Ethanol As A New Alcohol Equivalent For Copper-Catalyzed Coupling Of Aryl Iodides
  作者:Dibakar,Mullick; Et Al
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(41) 页码:5338-5341]
  
  407-14-7 = 828-27-3
  反应条件:1.1 Reagents: Dabco,Water Catalysts: Nickel Dichloride,2,4,5,6-Tetrakis(Diphenylamino)-1,3-Benzenedicarbonitrile Solvents: 1,3-Dimethyl-2-Imidazolidinone; 3 H,Rt
  标题:Machine-Learning Classification For The Prediction Of Catalytic Activity Of Organic Photosensitizers In The Nickel(Ii)-Salt-Induced Synthesis Of Phenols
  作者:Noto,Naoki; Et Al
  参考文献:Angewandte Chemie 日期:2023 卷标:62(11)]
  
  139301-27-2 = 828-27-3
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Povidone-Iodine Solvents: Water; 25 °C
  标题:A Practical Method For Preparation Of Phenols From Arylboronic Acids Catalyzed By Iodopovidone In Aqueous Medium
  作者:Lu,Guangying; Et Al
  参考文献:Tetrahedron Letters 日期:2019 卷标:60(39)]
  
  139301-27-2 = 828-27-3
  反应条件:1.1 Reagents: Potassium Hydroxide,Oxygen Catalysts: Quinone Solvents: Water; 23 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Benzoquinone-Promoted Aerobic Oxidative Hydroxylation Of Arylboronic Acids In Water
  作者:Cheng,Guolin; Et Al
  参考文献:Synthesis 日期:2014 卷标:46(3) 页码:295-300]
  
  37181-39-8 = 828-27-3
  反应条件:1.1 Reagents: Water,Vitreous Silica Catalysts: N-Benzyl-2-Pyridone Solvents: Chlorobenzene; 36 H,105 °C
  标题:Organocatalytic Synthesis Of Phenols From Diaryliodonium Salts With Water Under Metal-Free Conditions
  作者:Katagiri,Kotone; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(28) 页码:5149-5154]
  
  659-28-9 = 828-27-3
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid
  标题:(2R)-2-Methylchromane-2-Carboxylic Acids: Discovery Of Selective Pparα Agonists As Hypolipidemic Agents
  作者:Koyama,Hiroo; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2005 卷标:15(14) 页码:3347-3351]
  
  330-12-1 = 828-27-3
  反应条件:1.1 Reagents: Sodium Fluoride,Lithium Perchlorate,Bis(Pinacolato)Diborane,N-Fluorobenzenesulfonimide Catalysts: Tetrakis(Acetonitrile)Copper(1+) Tetrafluoroborate Solvents: Acetonitrile; 6 H1.2 Reagents: Sodium Peroxoborate,Oxygen Solvents: Tetrahydrofuran,Water; 1 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Decarboxylative Borylation And Cross-Coupling Of (Hetero)Aryl Acids Enabled By Copper Charge Transfer Catalysis
  作者:Dow,Nathan W.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(14) 页码:6163-6172]
  
  461-82-5 = 828-27-3
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid
  标题:Modifications Of Primaquine As Antimalarials. 3. 5-Phenoxy Derivatives Of Primaquine
  作者:Nodiff,Edward A.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1982 卷标:25(9) 页码:1097-101]
  
  103962-05-6 + 2916-68-9 = 828-27-3
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: 1,10-Phenanthroline,Cuprous Iodide Solvents: Toluene; 14 H,110 °C; 110 °C -> Rt2.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 1 H,60 °C
  标题:2-(Trimethylsilyl)Ethanol As A New Alcohol Equivalent For Copper-Catalyzed Coupling Of Aryl Iodides
  作者:Dibakar,Mullick; Et Al
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(41) 页码:5338-5341]
  
  14874-70-5 + 1493-13-6 = 828-27-3
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; 0 °C; 15 Min,Rt2.1 Reagents: Water,Vitreous Silica Catalysts: N-Benzyl-2-Pyridone Solvents: Chlorobenzene; 36 H,105 °C
  标题:Organocatalytic Synthesis Of Phenols From Diaryliodonium Salts With Water Under Metal-Free Conditions
  作者:Katagiri,Kotone; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(28) 页码:5149-5154]
  
  = 828-27-3 + 98-86-2
  反应条件:1.1 Catalysts: Palladium Solvents: Ethanol,Water; 6 H,120 °C
  标题:Catalytic C-O Bond Cleavage In A β-O-4 Lignin Model Through Intermolecular Hydrogen Transfer
  作者:Ahsan Usman,Muhammad; Et Al
  参考文献:Inorganica Chimica Acta 日期:2021 卷标:521

海关参考信息

• 2905110000-甲醇
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
  2918290000-其他含酚基羧酸
• 💡 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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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