CAS: 94610-82-9; 3-Fluoro-4-Cyano Anisole

• 英文名称3-Fluoro-4-Cyano Anisole
• 中文名称2-氟-4-甲氧基苯甲腈
• IUPAC名称2-fluoro-4-methoxybenzonitrile
• 其它别名2-氟-4-甲氧基苯甲腈, Jrd; 3-Fluoro-4-Cyanoanisole
• CAS编号94610-82-9
• MFCD编号:MFCD00509374
• EINECS号:619-054-7
• 分子式:C8H6FNO
• 分子量:151.14
• 产品CID: 1997750
• 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
• 产品信息参考;;
• InChIKey: HWKUZTFIZATJPM-UHFFFAOYSA-N
• InChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点62-65 °C
• 沸点233.9°C at 760 mmHg
• 闪点95.3°C
• 密度1.2±0.1 g/cm3
• PSA:33.02
• LogP:1.70598
• 折射率1.505
• 蒸汽压0.1±0.5 mmHg at 25°C
• 外观形态类白色至淡棕色固体
• 储存条件储存在 室温

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
  水生慢性毒性 类别3
  急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  急性毒性 类别3(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.
  H412 |对水生生物有害并具有长期持续影响.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H331 |吸入会中毒.
• 防范说明P264-P270-P330-P405-P501
• 危险等级6.1
• UN编号3439.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明23-36/37/39
• 危险类别码20/21/22-36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 458-50-4 = 94610-82-9
  反应条件:1.1 Reagents: Zinc Catalysts: 1,1-Bis(Diphenylphosphino)Ferrocene,Tris(Dibenzylideneacetone)Dipalladium Solvents: Dimethylformamide; 16 H,120 °C; 120 °C -> Rt1.2 Reagents: Water; Rt
  标题:Design Of An Electron-Withdrawing Benzonitrile Ligand For Ni-Catalyzed Cross-Coupling Involving Tertiary Nucleophiles
  作者:Mills,L. Reginald; Edjoc,Racquel K.; Rousseaux,Sophie A. L.
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-14]
  
  331-64-6 = 94610-82-9
  反应条件:1.1 Reagents: Lead Tetraacetate,Ammonia Solvents: Toluene
  标题:Synthesis And Pharmacological Investigations Of Novel Benzimidazoles As Fluorescent Ligands Of The Estrogen Receptor
  作者:Dettmann,Sandra
  参考文献:2006]
  
  = 94610-82-9 [标题:Reaction Conditions
  标题:Preparation Of Organic Nitriles From Aldoximes.
  参考文献:World Intellectual Property Organization]
  
  = 94610-82-9 [标题:Reaction Conditions
  标题:Synthesis Of [1]Benzothieno[3,2-D]Pyrimidines Substituted With Electron Donating Substituents On The Benzene Ring
  作者:Bridges,Alexander J.; Zhou,Hairong
  参考文献:Journal Of Heterocyclic Chemistry 日期:1997 卷标:34(4) 页码:1163-1172]
  
  = 94610-82-9 [标题:Reaction Conditions
  标题:The Synthesis And Transition Temperatures Of Benzoate Ester Derivatives Of 2-Fluoro-4-Hydroxy- And 3-Fluoro-4-Hydroxybenzonitriles
  作者:Kelly,Stephen M.
  参考文献:Helvetica Chimica Acta 日期:1984 卷标:67(6) 页码:1572-9]
  
  3939-09-1 = 94610-82-9 + 191014-55-8
  反应条件:1.1 Solvents: 1,4-Dioxane; 48 H,45 °C
  标题:Regioselective Snar Reactions Of Substituted Difluorobenzene Derivatives: Practical Synthesis Of Fluoroaryl Ethers And Substituted Resorcinols
  作者:Ouellet,Stephane G.; Bernardi,Anna; Angelaud,Remy; O'Shea,Paul D.
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(27) 页码:3776-3779]
  
  456-49-5 + 7677-24-9 = 94610-82-9 + 191014-55-8
  反应条件:1.1 Reagents: Oxygen Catalysts: Acridinium,3,6-Bis(1,1-Dimethylethyl)-10-Phenyl-9-(2,4,6-Trimethylphenyl)-,Tet... Solvents: Acetonitrile,Water; 24 H,Ph 9,Rt
  标题:Direct C-H Cyanation Of Arenes Via Organic Photoredox Catalysis
  作者:Mcmanus,Joshua B.; Nicewicz,David A.
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(8) 页码:2880-2883]
  
  82380-18-5 = 94610-82-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 21 H,Rt
  标题:Preparation Of [(Hetero)Aryloxy]Phenylalkylamines As Inhibitors Of Nitric Oxide Synthase For Treatment Of Inflammatory Diseases,Pain,And Cns Diseases
  参考文献:World Intellectual Property Organization]
  
  874804-31-6 = 94610-82-9
  反应条件:1.1 Reagents: Methoxyacetonitrile,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Palladium Diacetate,Water,Poly(Oxy-1,2-Ethanediyl),α-[4-[[3,4-Dihydro-2,5,7,8-Tetramethyl-2-(4,8,12-Trime... Solvents: Tetrahydrofuran; 12 H,45 °C
  标题:Dehydration Of Primary Amides To Nitriles In Water. Late-Stage Functionalization And 1-Pot Multistep Chemoenzymatic Processes Under Micellar Catalysis Conditions
  作者:Wood,Alex B.; Kincaid,Joseph R. A.; Lipshutz,Bruce H.
  参考文献:Green Chemistry 日期:2022 卷标:24(7) 页码:2853-2858]
  
  162101-31-7 + 624734-63-0 = 94610-82-9
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: 2241939-24-0 Solvents: Tetrahydrofuran,Xylene,Water; 2.5 H,Rt
  标题:Oxidative Cyanide-Free Cyanation On Arylboronic Acid Derivatives Using Aryl/heteroaryl Thiocyanate Using Novel Il-Pdcl4 Catalyst Under Mild Condition
  作者:Vaghasiya,Beena K.; Satasia,Shailesh P.; Thummar,Rahul P.; Kamani,Ronak D.; Avalani,Jemin R.; Et Al
  参考文献:Journal Of Sulfur Chemistry 日期:2018 卷标:39(5) 页码:507-515]
  
  458-50-4 = 94610-82-9
  反应条件:1.1 Reagents: Zinc Catalysts: 1,1-Bis(Diphenylphosphino)Ferrocene,Tris(Dibenzylideneacetone)Dipalladium Solvents: Dimethylformamide; 16 H,120 °C; 120 °C -> Rt1.2 Reagents: Water
  标题:Design Of An Electron-Withdrawing Benzonitrile Ligand For Ni-Catalyzed Cross-Coupling Involving Tertiary Nucleophiles
  作者:Mills,L. Reginald; Edjoc,Racquel K.; Rousseaux,Sophie A. L.
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(27) 页码:10422-10428]
  
  348-24-3 = 94610-82-9
  反应条件:1.1 Reagents: 1,1,2,2-Tetrafluoro-N,N-Dimethylethanamine,Diisopropylethylamine Solvents: Acetonitrile; 2 H,82 °C
  标题:Fluorinated Vilsmeier Reagent: Tfedma-Mediated Synthesis Of Aryl-Cyanides And Aryl-Amides Via The Activation Of Oximes
  作者:Yadav,Arvind K.; Reddy Narra,Srikanth; Zulfaqar Bacho,Muhamad; Sumii,Yuji; Shibata,Norio
  参考文献:Asian Journal Of Organic Chemistry 日期:2023 卷标:12(6)]
  
  38469-83-9 = 94610-82-9
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Dimethylformamide
  标题:Methods For Rapid Formation Of Chemicals Including Positron Emission Tomography Biomarkers
  参考文献:United States]
  
  456-49-5 = 94610-82-9
  反应条件:1.1 Reagents: Bromine Solvents: Chloroform; 7 H,60 °C1.2 Solvents: Dimethylformamide; Overnight,Reflux
  标题:Triazolylacetylpiperaizne Compounds As Mglu5 Receptor Modulators And Their Preparation
  参考文献:United States]
  
  82380-18-5 = 94610-82-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 2 H,Reflux; Reflux -> Rt
  标题:Preparation Of Benzo[4,5]Furo[3,2-B]Pyridin-2-Ones And Pyrido[3,2-B]Indol-2-Ones As Inhibitors Of Hiv Reverse Transcriptase
  参考文献:World Intellectual Property Organization]
  
  = 94610-82-9 [标题:Reaction Conditions
  标题:Preparation Of Heterocyclic Compounds For The Treatment Of Pain,In Particular Neuropathic Pain,And/or Other Diseases Or Disorders That Are Associated With At2R And/or At2R Mediated Signaling
  参考文献:World Intellectual Property Organization]
  
  = 94610-82-9 [标题:Reaction Conditions
  标题:Preparation Of Aromatic Hydroxyamidine Derivatives And Their Use As Leukotriene Receptor Antagonists.
  参考文献:European Patent Organization]
  
  82830-49-7 + 7677-24-9 = 94610-82-9 + 331-62-4
  反应条件:1.1 Reagents: Sodium Bicarbonate Catalysts: 2356187-82-9 Solvents: Ethanol; 5 Min1.2 24 H,35 °C
  标题:11C-,12C-,And 13C-Cyanation Of Electron-Rich Arenes Via Organic Photoredox Catalysis
  作者:Wu,Xuedan; Chen,Wei; Holmberg-Douglas,Natalie; Bida,Gerald Thomas; Tu,Xianshuang; Et Al
  参考文献:Chem 日期:2023 卷标:9(2) 页码:343-362]
  
  3939-09-1 = 94610-82-9 + 191014-55-8
  反应条件:1.1 Solvents: Methanol
  标题:Preparation Of Cyanofluorophenol From 2,4-Difluorobenzonitrile And Alcohols
  参考文献:Japan

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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。
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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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• ➥ REACH监管