CAS: 93249-62-8; 2-Hydroxy-5-(Trifluoromethoxy)Benzaldehyde

• 英文名称2-Hydroxy-5-(Trifluoromethoxy)Benzaldehyde
• 中文名称2-羟基-5-(三氟甲氧基)苯甲醛
• IUPAC名称2-hydroxy-5-(trifluoromethoxy)benzaldehyde
• 其它别名2-Hydroxy-5-(Trifluoromethoxy)Benzaldehyde, ; 5-(Trifluoromethoxy)Salicylaldehyde; 2-Hyd
• CAS编号93249-62-8
• MFCD编号:MFCD00075249
• EINECS号:620-932-7
• 分子式:C8H5F3O3
• 分子量:206.12
• 产品CID: 1970850
• 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: WQUZBERVMUEJTD-UHFFFAOYSA-N
• InChI=1S/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点31-33°C
• 沸点82°C at 60 mmHg
• 闪点85.4±25.9 °C
• 密度1.5±0.1 g/cm3
• pKa:7.56±0.18(预测)
• PSA:46.53
• LogP:2.1033
• 折射率1.513
• 蒸汽压0.1±0.4 mmHg at 25°C
• 敏感性空气敏感
• 外观形态白色至淡黄色低熔点固体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物用于编制:2-[(E)-2-氢氧-5--(氟氧基)(三氟苯氧)苯基氨基苯基]-4-甲基苯酚(E)-2-2-(3-氟苯基)甲基甲基)-4-(全氟辛基苯氧)(三甲基)-(苯氧氟基)-酚-2-[((E---纳弗朗-2--亚利米诺)甲基]-4-4-(三氟基苯酚)苯酚

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
• 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.
• 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IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-37/39
• 危险类别码36/37/38
• WGK Germany3

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 2-Hydroxy-5-(Trifluoromethoxy)Benzaldehyde 主要起始原料 2-Methoxy-5-(Trifluoromethoxy)Benzaldehyde
• 896732-42-6 = 93249-62-8
  反应条件:1.1 Reagents: Butyllithium,N,N,N′,N′-Tetramethylethylenediamine1.2 -
  标题:Benzo[b]Thiophene-2-Carboxamides And Benzo[b]Furan-2-Carboxamides Are Potent Antagonists Of The Human H3-Receptor
  作者:Peschke,Bernd; Bak,Sonja; Hohlweg,Rolf; Nielsen,Rita; Viuff,Dorthe; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2006 卷标:16(12) 页码:3162-3165]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Triethylamine,Magnesium Chloride Solvents: Acetonitrile; Reflux
  标题:Synthesis,Crystal Structure,Spectroscopic Characterization And Anti-Fungal Activity Of Ethyl 2-Oxo-2H-Chromene-3-Carboxylate Derivatives
  作者:Gu,Jia; Xiao,Pan-Lei; Wang,Jie; Zhong,Liang; Nie,Xu-Liang; Et Al
  参考文献:Journal Of Molecular Structure 日期:2022 卷标:1257]
  
  145742-65-0 = 93249-62-8
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; 1 Min,-78 °C; 1 H,-78 °C; -78 °C -> Rt; 1 H,Rt
  标题:Preparation Of Benzo-Fused Heterocyclic Compounds As Agonists Of Gpr120
  参考文献:United States]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Magnesium Methoxide Solvents: Methanol; Reflux1.2 Solvents: Toluene; Heated1.3 Solvents: Toluene; 1 H,95 °C; 95 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Overnight,Rt
  标题:A Novel Series Of 6-Substituted 3-(Pyrrolidin-1-Ylmethyl)Chromen-2-Ones As Selective Monoamine Oxidase (Mao) A Inhibitors
  作者:Mattsson,Cecilia; Svensson,Peder; Sonesson,Clas
  参考文献:European Journal Of Medicinal Chemistry 日期:2014 卷标:73 页码:177-186]
  
  145742-65-0 = 93249-62-8
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; 1 Min,-78 °C; 1 H,-78 °C; 1 H,Cooled1.2 Reagents: Sodium Bicarbonate Solvents: Water; Cooled; Rt
  标题:Preparation Of Fluoroalkoxybenzylamino Derivatives Of Nitrogen Containing Heterocycles As Substance P Receptor Antagonists
  参考文献:United States]
  
  145742-65-0 = 93249-62-8
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; 1 Min,Cooled; 1 H,Cooled; 1 H,Cooled
  标题:Preparation Of [(Fluoroalkoxy)Benzylamino]Piperidine Derivatives As Substance P Receptor Antagonists
  参考文献:United States]
  
  145742-65-0 = 93249-62-8
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; -20 °C; 2 H,0 °C
  标题:Preparation Of Spiro[azolyl-Xanthene] Compounds For Treating Neurodegenerative Diseases
  参考文献:World Intellectual Property Organization]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Triethylamine,Magnesium Chloride Solvents: Acetonitrile; Overnight,95 °C; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Design,Synthesis And Bioactivity Evaluation Of Coumarin-Bmt Hybrids As New Acetylcholinesterase Inhibitors
  作者:Zeng,Fanxin; Lu,Tao; Wang,Jie; Nie,Xuliang; Xiong,Wanming; Et Al
  参考文献:Molecules 日期:2022 卷标:27(7)]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Triethylamine,Magnesium Chloride Solvents: Acetonitrile; 80 °C
  标题:Phosphine-Catalyzed Sequential (2+3)/(2+4) Annulation Of γ-Vinyl Allenoates: Access To The Synthesis Of Chromeno[4,3-B]Pyrroles
  作者:Li,Xiaohu; Huang,You
  参考文献:Chemical Communications (Cambridge 日期:2021 卷标:57(77) 页码:9934-9937]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Ethylmagnesium Bromide Solvents: Diethyl Ether; 0.15 H,Cooled; 0.5 H,0 °C; 0.5 H,Rt; Cooled1.2 Reagents: Hexamethylphosphoramide Solvents: Toluene; 0.25 H,Cooled1.3 3 H,Rt -> 90 °C; 90 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Preparation Of 1-Benzopyran-3-Carboxylates And Analogs As Cyclooxygenase-2 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Ethylmagnesium Bromide Solvents: Diethyl Ether; 0.15 H,0 °C; 0.5 H,0 °C; 0.5 H,Rt; Cooled1.2 Reagents: Hexamethylphosphoramide Solvents: Toluene; 0.25 H,Cooled1.3 3 H,Rt -> 90 °C; 90 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Substituted Benzopyran Derivatives For The Treatment Of Inflammation
  参考文献:World Intellectual Property Organization]
  
  828-27-3 = 93249-62-8
  反应条件:1.1 Reagents: Hydrofluoric Acid
  标题:Substituted Oxime Ethers
  参考文献:Federal Republic Of Germany]
  
  = 93249-62-8 [标题:Reaction Conditions
  标题:Modulation On C- And N-Terminal Moieties Of A Series Of Potent And Selective Linear Tachykinin Nk2 Receptor Antagonists
  作者:Gensini,Martina; Altamura,Maria; Dimoulas,Tula; Fedi,Valentina; Giannotti,Danilo; Et Al
  参考文献:Chemmedchem 日期:2010 卷标:5(1) 页码:65-78]
  
  = 93249-62-8 [标题:Reaction Conditions
  标题:Aromatic Aldehydes
  参考文献:Federal Republic Of Germany

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2912210000-苯甲醛
  2907121100-间甲酚
• 💡 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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