CAS: 90-46-0; 9H-Xanthen-9-Ol

• ⚠️危险化学品目录 类别: 易燃液体
• 英文名称9H-Xanthen-9-Ol
• 中文名称占吨醇
• IUPAC名称9H-Xanthen-9-ol
• 其它别名Xanthydrol; 9H-Xanthen-9-ol
• CAS编号90-46-0
• MFCD编号:MFCD00005057
• EINECS号:201-996-1
• FDA UNII编号:7131M69IKF
• 分子式:C13H10O2
• 分子量:198.22
• 产品CID: 1937510
• 产品分类化学试剂 → 有机试剂 → 芳香醇

• 相似结构搜索
• 产品信息参考;
• InChIKey: JFRMYMMIJXLMBB-UHFFFAOYSA-N
• InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点122-124 °C
• 沸点275.53°C (粗估)
• 闪点11 °C
• 密度0.83 g/mL at 20 °C
• pKa:13.57±0.20(预测)
• PSA:29.46
• LogP:2.270 (est)
• 折射率1.6620 (估算)
• 蒸汽压4.14E-05 mmHg at 25 °C
• 溶解性Methanol: 0.1 G/ml, Clear
• 敏感性光敏感
• 外观形态白色至类白色结晶粉末
• 储存条件2-8°C
• 产品应用该化合物用于在TFA的出现下,通过反应来保护硫柳汞作为S-XANTHYL(XAN)硫醚.

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(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
  水生慢性毒性 类别2
  严重眼刺激 类别2A
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H411 |对水生生物有毒并具有长期持续影响.
  H319 |造成严重眼刺激.
• 防范说明P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
• UN编号UN 1230 3/PG 2
• 危险品标志F,T,Xi,Xn
• 风险等级Irritant
• 安全声明7-16-24-45-24/25-36-22-36/37
• 危险类别码11-23/24/25-39/23/24/25-40
• 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 9-Hydroxyxanthene 主要起始原料 Xanthone
• 90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Sodium Amalgam Solvents: Ethanol; 60 - 70 °C
  标题:Sodium Amalgam
  作者:Buszek,Keith R.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-4]
  
  92-83-1 = 90-46-0
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Catalysts: 5,10,15,20-Tetrakis(N-Methyl-4′-Pyridyl)Porphyrinato Iron(Iii) Solvents: Acetonitrile,Water; 20 - 90 Min,Ph 4.7,20 °C
  标题:A Highly Reactive P450 Model Compound I
  作者:Bell,Seth R.; Groves,John T.
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(28) 页码:9640-9641]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Mercury,Sodium Solvents: Ethanol
  标题:Spasmolytics Derived From Xanthene
  作者:Goldberg,A. A.; Wragg,A. H.
  参考文献:Journal Of The Chemical Society 日期:1957 卷标:4823 页码:4823-9]
  
  92-83-1 = 90-46-0
  反应条件:1.1 Catalysts: (Sp-5-12)-Oxo[5,10,15,20-Tetrakis(2,4,6-Trimethylphenyl)-21H,23H-Porphinato(2-)-... Solvents: Dichloromethane; -50 °C
  标题:Meso-Substitution Activates Oxoiron(Iv) Porphyrin π-Cation Radical Complex More Than Pyrrole-β-Substitution For Atom Transfer Reaction
  作者:Fukui,Nami; Ueno,Kanako; Hada,Masahiko; Fujii,Hiroshi
  参考文献:Inorganic Chemistry 日期:2021 卷标:60(5) 页码:3207-3217]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Catalysts: Nickel Solvents: Ethanol; 2 H,50 - 60 °C
  标题:Organic Analysis Reagent - Synthesis Method Research Of Xanthydrol
  作者:Li,Gong-An; Liu,Jin-Gui
  参考文献:Henan Shifan Daxue Xuebao 日期:2002 卷标:30(2) 页码:97-98]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: 2925284-43-9 Solvents: Tetrahydrofuran; 10 Min,Rt1.2 Reagents: Hydrogen; 16 H,50 Bar,25 °C
  标题:A Tailored Versatile And Efficient Nhc-Based Nnc-Pincer Manganese Catalyst For Hydrogenation Of Polar Unsaturated Compounds
  作者:Wei,Zeyuan; Li,Hengxu; Wang,Yujie; Liu,Qiang
  参考文献:Angewandte Chemie 日期:2023 卷标:62(23)]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Sodium Hydroxide,Zinc Solvents: Ethanol; Rt -> Reflux; 2 H,Reflux
  标题:Research For Synthesis Of Xanthydrol
  作者:Xu,Bo
  参考文献:Anhui Huagong 日期:2012 卷标:38(3)]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Sodium Amalgam Solvents: Ethanol
  标题:Xanthydrol
  作者:Holleman,A. F.
  参考文献:Organic Syntheses 日期:1927 卷标:7 页码:88-9]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; Overnight,Rt
  标题:Asymmetric Synthesis Of (2S,3S)-3-Me-Glutamine And (R)-Allo-Threonine Derivatives Proper For Solid-Phase Peptide Coupling
  作者:Tokairin,Yoshinori; Soloshonok,Vadim A.; Moriwaki,Hiroki; Konno,Hiroyuki
  参考文献:Amino Acids 日期:2019 卷标:51(3) 页码:419-432]
  
  88284-48-4 + 90-02-8 = 90-46-0
  反应条件:1.1 Reagents: Potassium Carbonate,Cesium Fluoride Solvents: Acetonitrile; 15 H,Rt1.2 Reagents: Sodium Chloride Solvents: Water
  标题:Reaction Of Benzyne With Salicylaldehydes: General Synthesis Of Xanthenes,Xanthones,And Xanthols
  作者:Okuma,Kentaro; Nojima,Akiko; Matsunaga,Nahoko; Shioji,Kosei
  参考文献:Organic Letters 日期:2009 卷标:11(1) 页码:169-171]
  
  90-47-1 = 90-46-0 [标题:Reaction Conditions
  标题:Reduction Of Some Carbonyl Groups By Ion Exchange Resin Supported Borohydride
  作者:Hu,Mougang; Chen,Jing; Chen,Fener; Chen,Jiawei
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1991 卷标:22(10) 页码:461-2]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Acridan Solvents: Acetic Acid
  标题:Reduction Of Xanthone And Thioxanthone By Acridan
  作者:Yunnikova,L. P.; Tigina,O. V.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1993 卷标:29(3) 页码:651-2]
  
  88284-48-4 = 90-46-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Cesium Fluoride Solvents: Acetonitrile; 14 H,Rt
  标题:Reaction Of Benzyne With Formamides And Acetylimidazole
  作者:Okuma,Kentaro; Nojima,Akiko; Nakamura,Yuki; Matsunaga,Nahoko; Nagahora,Noriyoshi; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2011 卷标:84(3) 页码:328-332]
  
  92-83-1 = 90-46-0
  反应条件:1.1 Reagents: Ozone
  标题:Ozonization Of Xanthene
  作者:Matsui,Masaki; Miyamoto,Yoshihiko; Shibata,Katsuyoshi; Takase,Yoshimi
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1984 卷标:57(2) 页码:603-4]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Sodium Borohydride; 0 °C; 30 Min,0 °C; 0 °C -> Rt1.2 Reagents: Water
  标题:Lewis Acid-Catalyzed Diastereoselective C-C Bond Insertion Of Diazo Esters Into Secondary Benzylic Halides For The Synthesis Of α,β-Diaryl-β-Haloesters
  作者:Wang,Fei; Nishimoto,Yoshihiro; Yasuda,Makoto
  参考文献:Angewandte Chemie 日期:2022 卷标:61(29)]
  
  90-47-1 = 90-46-0
  反应条件:1.1 Reagents: Zinc Solvents: Toluene
  标题:A Process For Preparing Xanthene-9-Carboxylic Acid As Intermediate For Manufacturing Propantheline Bromide
  参考文献:China

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2906210000-苄醇
  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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