CAS: 887144-94-7; 1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One

• 英文名称1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One
• 中文名称1-(三氟甲基)-1,2-苯碘酰-3(1H)-酮
• IUPAC名称1-(trifluoromethyl)-1λ3,2-benziodoxol-3-one
• 其它别名1-(三氟甲基)-1,2-苯碘酰-3(1H)-
• CAS编号887144-94-7
• MFCD编号:MFCD18800706
• EINECS号:688-223-5
• FDA UNII编号:DHY074A7WG
• 分子式:C8H4F3IO2
• 分子量:316.018
• 产品CID: 1905018
• 产品分类有机原料→通用试剂→氧化剂→高价碘类氧化剂

• 相似结构搜索
• InChIKey: YBLRSZAVVVHAQD-UHFFFAOYSA-N
• InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点150-158°C
• 沸点106-108 °C
• PSA:26.3
• LogP:2.9678
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色粉末
• 储存条件2-8°C

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
  易燃固体 类别2
  特定目标器官毒性-重复接触 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.
  H228 |易燃固体.
  H373 |长期或反复接触可能损害器官.
• 防范说明P260-P264-P271-P302+P352-P305+P351+P338
• 危险等级4.1
• UN编号UN 1325 4.1/PG II
• 危险品标志Xn
• 包装等级II
• 安全声明26-24/25
• 危险类别码36/37/38-48/20
• 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 1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One 主要起始原料 1-Chloro-1λ3,2-Benziodoxol-3-One And (Trifluoromethyl)Trimethylsilane
• 59457-26-0 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Potassium Acetate Solvents: Acetonitrile; 2 H,75 °C; 75 °C -> Rt1.2 15 H,Rt1.3 Solvents: Acetonitrile; Rt -> 75 °C; -75 °C -> -20 °C
  标题:Trifluoromethoxylation Of Arenes: Synthesis Of Ortho-Trifluoromethoxylated Aniline Derivatives By Ocf3 Migration
  作者:Hojczyk,Katarzyna N.; Feng,Pengju; Zhan,Chengbo; Ngai,Ming-Yu
  参考文献:Angewandte Chemie 日期:2014 卷标:53(52) 页码:14559-14563]
  
  131-62-4 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Acetic Anhydride; Reflux; Reflux -> -20 °C; 4 H,-20 °C1.2 Reagents: Cesium Fluoride Solvents: Acetonitrile; 22 H,Rt
  标题:Reactivity Of A 10-I-3 Hypervalent Iodine Trifluoromethylation Reagent With Phenols
  作者:Stanek,Kyrill; Koller,Raffael; Togni,Antonio
  参考文献:Journal Of Organic Chemistry 日期:2008 卷标:73(19) 页码:7678-7685]
  
  131-62-4 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Acetic Anhydride Solvents: Acetic Anhydride1.2 Reagents: Cesium Fluoride Solvents: Acetonitrile
  标题:Electrophilic Trifluoromethylation - Approaches With Hypervalent Iodine Compounds
  作者:Kieltsch,Iris
  参考文献:2008]
  
  27607-77-8 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Catalysts: Cesium Fluoride Solvents: Acetonitrile; 24 H,Rt
  标题:Copper-Catalyzed Trifluoromethylation Of Unactivated Olefins
  作者:Parsons,Andrew T.; Buchwald,Stephen L.
  参考文献:Angewandte Chemie 日期:2011 卷标:50(39) 页码:9120-9123]
  
  1829-25-0 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Acetonitrile
  标题:The Development Of New Hypervalent Iodine Reagents For Electrophilic Trifluoromethylation
  作者:Eisenberger,Patrick
  参考文献:2007]
  
  1829-25-0 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Catalysts: Cesium Fluoride Solvents: Acetonitrile; 15 H,Rt
  标题:Novel 10-I-3 Hypervalent Iodine-Based Compounds For Electrophilic Trifluoromethylation
  作者:Eisenberger,Patrick; Gischig,Sebastian; Togni,Antonio
  参考文献:Chemistry - A European Journal 日期:2006 卷标:12(9) 页码:2579-2586]
  
  81290-20-2 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Acetonitrile; 24 H,Rt
  标题:Synthesis Of Trifluoromethylated 2H-Azirines Through Togni Reagent-Mediated Trifluoromethylation Followed By Phio-Mediated Azirination
  作者:Sun,Jiyun; Zhen,Xiaohua; Ge,Huaibin; Zhang,Guangtao; An,Xuechan; Et Al
  参考文献:Beilstein Journal Of Organic Chemistry 日期:2018 卷标:14 页码:1452-1458]
  
  131-62-4 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Acetic Anhydride; 4 H,-20 °C1.2 Catalysts: Cesium Fluoride Solvents: Acetonitrile; 22 H,Rt
  标题:Synthesis Of Trifluoromethyl-Substituted Allenols Via Catalytic Trifluoromethylbenzoxylation Of 1,3-Enynes
  作者:Li,Songrong; Yang,Wenwen; Shi,Junjie; Dan,Tingting; Han,Yujie; Et Al
  参考文献:Acs Catalysis 日期:2023 卷标:13(3) 页码:2142-2148]
  
  59457-26-0 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Potassium Acetate Solvents: Acetonitrile; 40 Min,75 °C; 75 °C -> Rt1.2 2 H,Rt; Rt -> 75 °C
  标题:3-Trifluoromethylated Coumarins And Carbostyrils By Radical Trifluoromethylation Of Ortho-Functionalized Cinnamic Esters
  作者:Chaabouni,Slim; Simonet,Florent; Francois,Alison; Abid,Souhir; Galaup,Chantal; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2017 卷标:2017(2) 页码:271-277]
  
  131-62-4 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Solvents: Acetic Anhydride1.2 Solvents: Acetonitrile
  标题:Electrophilic Trifluoromethylation Of Alcohols And Remote Metal-Fluorine Interactions In Late-Transition-Metal Complexes
  作者:Stanek,Kyrill
  参考文献:2009]
  
  59457-26-0 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Potassium Acetate Solvents: Acetonitrile; 2 H,75 °C; 75 °C -> Rt1.2 3.5 H,Rt
  标题:One-Pot Synthesis Of Hypervalent Iodine Reagents For Electrophilic Trifluoromethylation
  作者:Matousek,Vaclav; Pietrasiak,Ewa; Schwenk,Rino; Togni,Antonio
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(13) 页码:6763-6768]
  
  88-67-5 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Trichloroisocyanuric Acid Solvents: Acetonitrile; 5 Min,75 °C; 75 °C -> Rt1.2 Reagents: Potassium Acetate; 1.5 H,75 °C; 75 °C -> Rt1.3 4.5 H,Rt1.4 Solvents: Acetonitrile; Rt -> Reflux
  标题:Electrochemical Initiation Of Electron-Catalyzed Phenanthridine Synthesis By Trifluoromethylation Of Isonitriles
  作者:Luebbesmeyer,M.; Leifert,D.; Schaefer,H.; Studer,A.
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(18) 页码:2240-2243]
  
  81290-20-2 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Acetonitrile; 22 H,Rt
  标题:Hypervalent Iodine(Iii)-Promoted Radical Oxidative C-H Annulation Of Arylamines With α-Keto Acids
  作者:Long,Lipeng; Wang,Jieyan; Gu,Liuqing; Yang,Shiguang; Qiao,Liang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(17) 页码:12084-12092]
  
  131-62-4 + 81290-20-2 = 887144-94-7
  反应条件:1.1 Reagents: Acetic Anhydride Solvents: Acetic Anhydride; Reflux; 4 H,Reflux -> -20 °C1.2 Reagents: Cesium Fluoride Solvents: Acetonitrile; 22 H,Rt
  标题:Metal-Free Photocatalytic Radical Trifluoromethylation Utilizing Methylene Blue And Visible Light Irradiation
  作者:Pitre,Spencer P.; Mctiernan,Christopher D.; Ismaili,Hossein; Scaiano,Juan C.
  参考文献:Acs Catalysis 日期:2014 卷标:4(8) 页码:2530-2535]
  
  81290-20-2 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Acetonitrile; 21 H,25 °C
  标题:Notification About The Explosive Properties Of Togni'S Reagent Ii And One Of Its Precursors
  作者:Fiederling,Nikolaus; Haller,Jan; Schramm,Heiko
  参考文献:Organic Process Research & Development 日期:2013 卷标:17(3) 页码:318-319]
  
  81290-20-2 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Catalysts: Cesium Fluoride Solvents: Acetonitrile; 24 H,Rt
  标题:Three-Component Synthesis Of Quinolines Based On Radical Cascade Visible-Light Photoredox Catalysis
  作者:Choi,Jun-Ho; Park,Cheol-Min
  参考文献:Advanced Synthesis & Catalysis 日期:2018 卷标:360(18) 页码:3553-3562]
  
  81290-20-2 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Catalysts: Cesium Fluoride Solvents: Acetonitrile; 25 H,Rt
  标题:Enantioselective Copper-Catalyzed Fukuyama Indole Synthesis From 2-Vinylphenyl Isocyanides
  作者:Drennhaus,Till; Leifert,Dirk; Lammert,Jessika; Drennhaus,Jan Philipp; Bergander,Klaus; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2023 卷标:145(15) 页码:8665-8676]
  
  81290-20-2 + 1829-26-1 = 887144-94-7
  反应条件:1.1 Catalysts: Cesium Fluoride Solvents: Acetonitrile; 24 H,Rt
  标题:Iron(Ii)-Catalyzed Trifluoromethylation Of Potassium Vinyltrifluoroborates
  作者:Parsons,Andrew T.; Senecal,Todd D.; Buchwald,Stephen L.
  参考文献:Angewandte Chemie 日期:2012 卷标:51(12) 页码:2947-2950

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
• 💡 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

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管