CAS: 97009-67-1; 1-(4-Fluorophenyl)Cyclopropanecarbonitrile

• 英文名称1-(4-Fluorophenyl)Cyclopropanecarbonitrile
• 中文名称1-(4-氟苯基)环丙烷甲腈
• IUPAC名称1-(4-fluorophenyl)cyclopropane-1-carbonitrile
• 其它别名1 - (4 - 氟苯基)环丙烷甲腈; Cyclopropanecarbonitrile, 1-(4-Fluorophenyl)-
• CAS编号97009-67-1
• MFCD编号:MFCD01314307
• EINECS号:980-199-7
• 分子式:C10H8FN
• 分子量:161.18
• 产品CID: 2019736
• 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: MFNQFDZHIVUCOX-UHFFFAOYSA-N
• InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2…
• 计算化学: 氢键受体数1.0氢键供体数0可旋转键数1

物理性质

• 沸点268.7±33.0 °C at 760 mmHg
• 闪点111.8±29.1 °C
• 密度1.2±0.1 g/cm3
• PSA:23.79
• LogP:2.38088
• 折射率1.549
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态无色油状物
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS符号GHS06
• 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2A
• 警示词Danger
• 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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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26-39
• 危险类别码41

欧盟法规

上下游产品

合成工艺路线路线简述

• 46392-67-0 + 459-22-3 + 37181-39-8 = 97009-67-1
  反应条件:1.1 Solvents: Dimethyl Sulfoxide; 2 Min,21 °C1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene; 12 H,21 °C
  标题:Efficient Cyclopropanation Of Aryl/heteroaryl Acetates And Acetonitriles With Vinyl Diphenyl Sulfonium Triflate
  作者:Zhou,Mingwei; Hu,Yimin; Ke,En; Tan,Xuefei; Shen,Hong C.; Et Al
  参考文献:Tetrahedron Letters 日期:2018 卷标:59(14) 页码:1443-1445]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Water; Rt -> 50 °C; 50 °C; 16 H,50 °C
  标题:Discovery Of 2-[1-(4-Chlorophenyl)Cyclopropyl]-3-Hydroxy-8-(Trifluoromethyl)Quinoline-4-Carboxylic Acid (Psi-421),A P-Selectin Inhibitor With Improved Pharmacokinetic Properties And Oral Efficacy In Models Of Vascular Injury
  作者:Huang,Adrian; Moretto,Alessandro; Janz,Kristin; Lowe,Michael; Bedard,Patricia W.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2010 卷标:53(16) 页码:6003-6017]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Water; Rt -> 50 °C; 50 °C; 5 D,50 °C; 50 °C -> Rt
  标题:Preparation Of Quinoline Compounds As Selectin Inhibitors For Disease Treatment
  参考文献:World Intellectual Property Organization]
  
  106-93-4 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Potassium Hydroxide,Tetrabutylammonium Bromide Solvents: Toluene; 0 °C; 1.5 H,0 °C -> 100 °C; Cooled1.2 Reagents: Water
  标题:Preparation Of Inhibitors Of Indoleamine-2,3-Dioxygenase (Ido) For Treatment Of Cancer And Infectious Diseases
  参考文献:World Intellectual Property Organization]
  
  96-49-1 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Potassium Carbonate; Rt; Rt -> 150 °C; 1 H,150 °C; 150 °C -> 45 °C1.2 Reagents: Water
  标题:Efficient Cyclopropanation Of Active Methylene Compounds. A Serendipitous Discovery
  作者:Arava,Veera Reddy; Siripalli,Udaya Bhaskara Rao; Dubey,Pramod Kumar
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(42) 页码:7247-7248]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Benzyltriethylammonium Chloride,Sodium Hydroxide Solvents: Water; 13 H,50 °C
  标题:Synthesis Of Polycyclic N/5/8 And N/5/5/5 Skeletons Using Rhodium-Catalyzed [5+2+1] Cycloaddition Of Exocyclic-Ene-Vinylcyclopropanes And Carbon Monoxide
  作者:Wang,Lu-Ning; Huang,Zhiqiang; Yu,Zhi-Xiang
  参考文献:Organic Letters 日期:2023 卷标:25(10) 页码:1732-1736]
  
  = 97009-67-1
  反应条件:1.1 Reagents: Benzyltriethylammonium Chloride,1-Bromo-2-Chloroethane,Sodium Hydroxide Solvents: Water; 40 - 50 °C
  标题:Substituted Arylpyrazolopyridines And Salts Thereof,Pharmaceutical Compositions Comprising Same,Methods Of Preparing Same And Uses Of Same
  参考文献:World Intellectual Property Organization]
  
  106-93-4 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 °C; 15 Min,0 °C1.2 Reagents: Sodium Iodide Solvents: Dimethylformamide; 4 H,0 °C -> 120 °C
  标题:Piperazine Compounds As Pyruvate Kinase M2 Modulators And Their Preparation,Compositions And Use In The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylacetamide; < -10 °C; 15 Min,-15 °C1.2 Solvents: Dimethylacetamide; < -10 °C; Rt; 1 H,Rt1.3 Reagents: Water; Rt
  标题:Preparation Of Arylcyclopropane Compounds
  参考文献:China]
  
  2415284-53-4 = 97009-67-1
  反应条件:1.1 Catalysts: Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel,4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine Solvents: Dimethylformamide; 15 Min,Rt1.2 Reagents: Lithium Bis(Trimethylsilyl)Amide; 12 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Nickel-Catalyzed Favorskii-Type Rearrangement Of Cyclobutanone Oxime Esters To Cyclopropanecarbonitriles
  作者:Shuai,Bin; Fang,Ping; Mei,Tian-Sheng
  参考文献:Synlett 日期:2021 卷标:32(16) 页码:1637-1641]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Benzyltriethylammonium Chloride,Sodium Hydroxide Solvents: Water; Overnight,50 °C
  标题:Preparation Of Diaminobenzeneacetic Or Diaminopyridineacetic Acid Derivatives As Modulators Of Indoleamine 2,3-Dioxygenase
  参考文献:World Intellectual Property Organization]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Benzyltriethylammonium Chloride,Sodium Hydroxide Solvents: Water; Overnight,50 °C
  标题:Distinctive Molecular Inhibition Mechanisms For Selective Inhibitors Of Human 11β-Hydroxysteroid Dehydrogenase Type 1
  作者:Tu,Hua; Powers,Jay P.; Liu,Jinsong; Ursu,Stefania; Sudom,Athena; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2008 卷标:16(19) 页码:8922-8931]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Water
  标题:Synthesis Of 1-Arylcyclopropanecarbonitriles Under Phase-Transfer Catalytic Conditions
  作者:Fedorynski,Michal; Jonczyk,Andrzej
  参考文献:Organic Preparations And Procedures International 日期:1995 卷标:27(3) 页码:355-9]
  
  106-93-4 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether,Dimethyl Sulfoxide; Rt; Overnight,Rt1.2 Reagents: Isopropanol; 0 °C
  标题:Iron-Catalyzed Cycloisomerization And C-C Bond Activation To Access Non-Canonical Tricyclic Cyclobutanes
  作者:Kramm,Frederik; Ullwer,Franziska; Klinnert,Benedict; Zheng,Min; Plietker,Bernd
  参考文献:Angewandte Chemie 日期:2022 卷标:61(38)]
  
  106-93-4 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Lithium Amide Solvents: Ethylene Glycol Diethyl Ether; Rt; 16 H,Rt
  标题:Heterocyclic Compounds,Namely 3-[(1-Phenylcyclopropyl)Methoxy]-4-[aza(Bi)Cycloalkyloxy]-1,2,5-Thiadiazoles,Useful As Muscarinic Receptor Modulators
  参考文献:World Intellectual Property Organization]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Water; 12 H,50 °C; 50 °C -> Rt
  标题:Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(Sp3)-H Borylation Of Cyclopropanes
  作者:Shi,Yongjia; Gao,Qian; Xu,Senmiao
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(27) 页码:10599-10604]
  
  106-93-4 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 °C; 15 Min,0 °C1.2 Solvents: Dimethylformamide; 24 H,Rt
  标题:Lewis Basic Sulfide Catalyzed Electrophilic Bromocyclization Of Cyclopropylmethyl Amide
  作者:Wong,Ying-Chieh; Ke,Zhihai; Yeung,Ying-Yeung
  参考文献:Organic Letters 日期:2015 卷标:17(20) 页码:4944-4947]
  
  25620-54-6 + 459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Benzyltriethylammonium Chloride,Sodium Hydroxide Solvents: Water; Rt; 10 Min,40 - 45 °C; 6 H,40 - 45 °C; 18 H,45 °C; Cooled
  标题:Preparation Of Piperazinylmethyloxadiazoles As Calcium Channel Antagonists
  参考文献:World Intellectual Property Organization]
  
  459-22-3 = 97009-67-1
  反应条件:1.1 Reagents: Benzyltriethylammonium Chloride,Potassium Hydroxide Solvents: Water; Rt; 5 H,40 °C; Overnight,Rt
  标题:Preparation Of Triazolyl 11β-Hydroxysteroid Dehydrogenase-1 Inhibitors For The Treatment Of Diabetes,Obesity And Dyslipidemia
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2926909090-其他腈基化合物
• 💡 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。
• 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
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