CAS: 86-53-3; 1-Cyanonaphthalene

• ⚠️危险化学品目录(2015年版) 皮肤腐蚀/刺激,类别2
• 英文名称1-Cyanonaphthalene
• 中文名称1-萘甲腈
• IUPAC名称naphthalene-1-carbonitrile
• 其它别名1-Naphthonitrile; NCN
• CAS编号86-53-3
• MFCD编号:MFCD00003866
• EINECS号:201-679-8
• 分子式:C11H7N
• 分子量:153.18
• 产品CID: 1867690
• 产品分类化学试剂 → 有机试剂 → 多环化合物

• 相似结构搜索
• InChIKey: YJMNOKOLADGBKA-UHFFFAOYSA-N
• InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点36-38  °C(文献)
• 沸点299.0±0.0 °C at 760 mmHg
• 闪点140.7±11.8 °C
• 密度1.1±0.1 g/cm3
• PSA:23.79
• LogP:2.89
• 折射率1.648
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Soluble In Methanol
• 敏感性1. 存在于烟气中。
• 外观形态红黄色至红紫色液体或低熔点固体
• 储存条件密封保存于4°C干燥环境避光保存
• 产品应用用于有机合成.
• 性质描述无色针状结晶.熔点38°C,沸点296°C,相对密度1.1113(25/25°C),折光率1.6298(18°C).易溶于醚及石油醇,不溶于水.

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
  急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  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.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
• 防范说明P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• 危险等级6.1
• UN编号UN 3439 6.1/PG 1
• 危险品标志Xn,Xi
• 包装等级III
• 安全声明26-37/39-23-36/37-36
• 危险类别码20/21/22-36/37/38-20/21
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 13504-46-6 = 86-53-3
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Benzene; Reflux
  标题:Design And Synthesis Of Low Molecular Weight Compounds With Complement Inhibition Activity
  作者:Master,Hoshang E.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2005 卷标:13(16) 页码:4891-4899]
  
  13504-46-6 = 86-53-3
  反应条件:1.1 Catalysts: Rhenium Hydroxide Oxide (Re(Oh)O3),(T-4)- Solvents: Toluene,Water; 1 H,Reflux1.2 Reagents: Sodium Bicarbonate Solvents: Water; 10 H,Rt
  标题:Rhenium(Vii) Oxo Complexes As Extremely Active Catalysts In The Dehydration Of Primary Amides And Aldoximes To Nitriles
  作者:Ishihara,Kazuaki; Et Al
  参考文献:Angewandte Chemie 日期:2002 卷标:41(16) 页码:2983-2986]
  
  90-14-2 = 86-53-3
  反应条件:1.1 Reagents: Cuprous Iodide Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran
  标题:Cooperative Catalyst Effects In Palladium-Mediated Cyanation Reactions Of Aryl Halides And Triflates
  作者:Anderson,Benjamin A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(23) 页码:8224-8228]
  
  20300-10-1 = 86-53-3
  反应条件:1.1 Reagents: Triethylamine,Triphenylbismuth Dichloride Solvents: Dichloromethane; 15 Min,Rt
  标题:Triphenylbismuth Dichloride-Mediated Conversion Of Thioamides To Nitriles
  作者:Gopi,Elumalai; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2019 卷标:2019(25) 页码:4043-4045]
  
  66-77-3 = 86-53-3
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride Solvents: N-Methyl-2-Pyrrolidone
  标题:One-Pot Synthesis Of Nitriles From Aldehydes Under Microwave Irradiation: Influence Of The Medium And Mode Of Microwave Irradiation On Product Formation
  作者:Chakraborti,Asit K.; Et Al
  参考文献:Tetrahedron 日期:1999 卷标:55(46) 页码:13265-13268]
  
  90-11-9 = 86-53-3
  反应条件:1.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium
  标题:Alumina Assisted Aryl Cyanation
  作者:Dalton,James R.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1979 卷标:44(24) 页码:4443-4]
  
  118-31-0 = 86-53-3
  反应条件:1.1 Reagents: Oxygen Catalysts: 4-(Dimethylamino)Pyridine,Cuprous Iodide,9-Azabicyclo[3.3.1]Non-9-Yloxy,4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine Solvents: Acetonitrile; 15 H,Rt
  标题:Cu/nitroxyl-Catalyzed Aerobic Oxidation Of Primary Amines Into Nitriles At Room Temperature
  作者:Kim,Jinho; Et Al
  参考文献:Acs Catalysis 日期:2013 卷标:3(7) 页码:1652-1656]
  
  13746-66-2 + 90-11-9 = 86-53-3
  反应条件:1.1 Reagents: Trisodium Phosphate Catalysts: Palladium,2H-Azepin-2-One,1-Ethenylhexahydro-,Polymer With 1-Ethenyl-1H-Imidazole Solvents: Dimethylformamide; Rt; 11 H,120 °C
  标题:Palladium Nanoparticles Stabilized By A Copolymer Of N-Vinylimidazole With N-Vinylcaprolactam As Efficient Recyclable Catalyst Of Aromatic Cyanation
  作者:Beletskaya,I. P.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2010 卷标:46(2) 页码:157-161]
  
  2243-81-4 = 86-53-3
  反应条件:1.1 Reagents: N-Methyl-N-(Trimethylsilyl)Trifluoroacetamide Catalysts: Zinc Triflate Solvents: Toluene; 24 H,70 °C
  标题:An Efficient Zinc-Catalyzed Dehydration Of Primary Amides To Nitriles
  作者:Enthaler,Stephan; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2012 卷标:7(1) 页码:169-175]
  
  2243-81-4 = 86-53-3
  反应条件:1.1 Reagents: N-Methyl-N-(Trimethylsilyl)Trifluoroacetamide Catalysts: Uranyl Nitrate Hexahydrate Solvents: 1,2-Dimethoxyethane; 24 H,100 °C
  标题:Straightforward Uranium-Catalyzed Dehydration Of Primary Amides To Nitriles
  作者:Enthaler,Stephan
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(34) 页码:9316-9319]
  
  90-11-9 + 13943-58-3 = 86-53-3
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Palladium Diacetate,1,1′-(9,10-Dihydro-9,10[1′,2′]-Benzenoanthracene-1,8-Diyl)Bis[1,1-Bis(1-Methylet... Solvents: Dimethylformamide; 5 - 10 Min,Rt1.2 24 H,90 °C
  标题:Novel Trans-Spanned Palladium Complexes As Efficient Catalysts In Mild And Amine-Free Cyanation Of Aryl Bromides Under Air
  作者:Grossman,Olga; Et Al
  参考文献:Organic Letters 日期:2006 卷标:8(6) 页码:1189-1191]
  
  90-11-9 + 13943-58-3 = 86-53-3
  反应条件:1.1 Catalysts: Palladium Diacetate,1-(Diphenylphosphino)-1′-[[[(Phenylamino)Carbonyl]Amino]Methyl]Ferrocene Solvents: Dichloromethane; 5 Min,Rt1.2 Reagents: Sodium Carbonate Solvents: 1,4-Dioxane,Water; 24 H,100 °C
  标题:Phosphinoferrocene Ureas: Synthesis,Structural Characterization,And Catalytic Use In Palladium-Catalyzed Cyanation Of Aryl Bromides
  作者:Skoch,Karel; Et Al
  参考文献:Organometallics 日期:2015 卷标:34(10) 页码:1942-1956]
  
  226931-26-6 = 86-53-3
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Tetrahydrofuran,Hexane; -78 °C; 1.5 H,-78 °C1.2 Reagents: Iodine,Ammonia Solvents: Water; 0 °C; 2 H,Rt1.3 Reagents: Sodium Sulfite Solvents: Water; Rt
  标题:Direct Transformation Of N,N-Disubstituted Amides And Isopropyl Esters To Nitriles
  作者:Suzuki,Yusuke; Et Al
  参考文献:Tetrahedron 日期:2011 卷标:67(21) 页码:3809-3814]
  
  226931-26-6 = 86-53-3
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Tetrahydrofuran; -30 °C; 2 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Tetrahydrofuran; Rt2.1 Reagents: Ammonium Hydroxide,Iodine Solvents: Tetrahydrofuran; 12 H,Rt
  标题:Synthesis,Anticancer And Antimicrobial Screening Of New Naphthalenyl-Thiazole And Quinolinyl-Thiazole
  作者:Walunj,Yogesh; Et Al
  参考文献:Polycyclic Aromatic Compounds 日期:2022 卷标:42(10) 页码:6891-6907]
  
  51873-97-3 = 86-53-3
  反应条件:1.1 Reagents: Triethylamine,Sulfuryl Chloride Fluoride Solvents: Dichloromethane
  标题:The Beckmann Reactions: Rearrangements,Elimination-Additions,Fragmentations,And Rearrangement-Cyclizations
  作者:Gawley,Robert E.
  参考文献:Organic Reactions (Hoboken 日期:1988 卷标:35]
  
  90-11-9 = 86-53-3
  反应条件:1.1 Catalysts: Tributyltin Chloride,Tri-Tert-Butylphosphine,Tris(Dibenzylideneacetone)Dipalladium Solvents: Acetonitrile,Hexane,Heptane; 0.5 H,Rt; 17 H,80 °C
  标题:Palladium-Catalyzed Cyanation Of Aryl Bromides Promoted By Low-Level Organotin Compounds
  作者:Yang,Chunhua; Et Al
  参考文献:Organic Letters 日期:2004 卷标:6(17) 页码:2837-2840]
  
  68716-52-9 = 86-53-3
  反应条件:1.1 Reagents: Acetic Acid,Cupric Nitrate,Oxygen,Ammonium Iodide Solvents: Dimethylformamide; 18 H,130 °C
  标题:Copper-Mediated Sequential Cyanation Of Aryl C-B And Arene C-H Bonds Using Ammonium Iodide And Dmf
  作者:Kim,Jinho; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(5) 页码:2528-2531]
  
  13504-46-6 = 86-53-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Benzeneseleninic Acid Solvents: Acetonitrile; 4 H,65 °C
  标题:Dehydration Of Aldoximes Using Phse(O)Oh As The Pre-Catalyst In Air
  作者:Zhang,Xu; Et Al
  参考文献:Organic Letters 日期:2015 卷标:17(23) 页码:5840-5842]
  
  20300-10-1 = 86-53-3
  反应条件:1.1 Reagents: Sodium Hydroxide,Oxygen Catalysts: Gold (Carbon Nanotube-Supported) Solvents: Tetrahydrofuran; 3 H,Rt
  标题:Catalytic Dehydrosulfurization Of Thioamides To Nitriles By Gold Nanoparticles Supported On Carbon Nanotubes
  作者:Gopi,Elumalai; Et Al
  参考文献:Chemcatchem 日期:2019 卷标:11(23) 页码:5758-5761]
  
  20300-10-1 = 86-53-3
  反应条件:1.1 Reagents: N-Methyl-N-(Trimethylsilyl)Trifluoroacetamide Catalysts: Indium Triflate Solvents: Toluene; Rt; 3 H,Reflux
  标题:Dehydrosulfurization Of Aromatic Thioamides To Nitriles Using Indium [iii] Triflate
  作者:Mineno,Tomoko; Et Al
  参考文献:International Journal Of Organic Chemistry 日期:2014 卷标:4(3) 页码:169-173]
  
  66-77-3 = 86-53-3
  反应条件:1.1 Reagents: Ammonium Carbonate,Oxygen Catalysts: Carbon Solvents: Dimethyl Sulfoxide; 8 H,120 °C
  标题:Highly Dispersed Co Species In N-Doped Carbon Enhanced The Aldehydes Ammoxidation Reaction Activity
  作者:Pan,Liuming; Et Al
  参考文献:Molecular Catalysis 日期:2022 卷标:518]
  
  66-77-3 = 86-53-3
  反应条件:1.1 Reagents: Sodium Carbonate,Hydroxyamine Hydrochloride Solvents: Dimethyl Sulfoxide; 30 - 60 Min,Rt1.2 Reagents: Sulfonyl Fluoride; 12 H,Rt
  标题:Cascade Process For Direct Transformation Of Aldehydes (Rcho) To Nitriles (Rcn) Using Inorganic Reagents Nh2Oh/na2Co3/so2F2 In Dmso
  作者:Fang,Wan-Yin; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2019 卷标:84(9) 页码:5803-5812]
  
  90-11-9 = 86-53-3
  反应条件:1.1 Reagents: Magnesium,Lithium Chloride Solvents: Tetrahydrofuran; Rt; 15 - 30 Min,Rt2.1 Solvents: Tetrahydrofuran; 45 Min,0 °C; 1.5 H,0 °C2.2 Reagents: Ammonium Chloride Solvents: Water
  标题:A Convenient Synthesis Of Benzonitriles Via Electrophilic Cyanation With N-Cyanobenzimidazole
  作者:Anbarasan,Pazhamalai; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(16) 页码:4725-4728]
  
  118-31-0 = 86-53-3
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: 2506117-64-0 Solvents: Dimethylformamide; 24 - 36 H,100 °C
  标题:Acceptorless Dehydrogenation Of Amines To Nitriles Catalyzed By N-Heterocyclic Carbene-Nitrogen-Phosphine Chelated Bimetallic Ruthenium (Ii) Complex
  作者:Nie,Xufeng; Et Al
  参考文献:Journal Of Catalysis 日期:2020 卷标:391 页码:378-385]
  
  13746-66-2 + 90-11-9 = 86-53-3
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Di-μ-Chlorobis[2-[1-[(4-Methylphenyl)Imino-κn]Ethyl]Ferrocenyl-κc]Dipalladium; Rt1.2 Solvents: Dimethylacetamide; 3 H,120 °C; 120 °C -> Rt
  标题:Palladium-Catalyzed Cyanation Of Aryl Bromides With Potassium Hexacyanoferrate (Ii)
  作者:Cheng,Yi-Nan; Et Al
  参考文献:Letters In Organic Chemistry 日期:2007 卷标:4(5) 页码:352-356]
  
  2243-81-4 = 86-53-3
  反应条件:1.1 Reagents: 1,1′-(1,2-Ethanediyl)Bis[1,1-Dimethylsilane] Catalysts: Ruthenium,[μ3-[(1,2,2A,8A,8B-η:3,4-η:5,5A,6-η)-Acenaphthylene]]-μ-Carbonylhexac... Solvents: 1,2-Dimethoxyethane; 20 H,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Diethyl Ether,Water; 30 Min,Rt
  标题:Hydrosilanes Are Not Always Reducing Agents For Carbonyl Compounds But Can Also Induce Dehydration: A Ruthenium-Catalyzed Conversion Of Primary Amides To Nitriles
  作者:Hanada,Shiori; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2008 卷标:(24) 页码:4097-4100]
  
  4780-79-4 = 86-53-3
  反应条件:1.1 Reagents: Tert-Butyl Hypochlorite Catalysts: Tempo Solvents: Dichloromethane; 1 H,Rt1.2 Reagents: Iodine,Ammonia Solvents: Water; 3 H,Rt
  标题:Simple One-Pot Conversion Of Alcohols Into Nitriles
  作者:Shimojo,Hiroyuki; Et Al
  参考文献:Synthesis 日期:2013 卷标:45(15) 页码:2155-2164]
  
  90-14-2 = 86-53-3 [标题:Reaction Conditions
  标题:Sodium Cyanide
  作者:Wilson,Timothy E.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  51873-97-3 = 86-53-3
  反应条件:1.1 Catalysts: Perrhenic Acid Solvents: Toluene,Water; 1 H,Reflux
  标题:Perrhenic Acid-Catalyzed Dehydration From Primary Amides,Aldoximes,N-Monoacylureas,And α-Substituted Ketoximes To Nitrile Compounds
  作者:Furuya,Yoshiro; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2007 卷标:80(2) 页码:400-406]
  
  59670-84-7 = 86-53-3
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 2H-1,3,2-Benzothiaselenazole,2-Phenyl-,1,1-Dioxide Solvents: Tert-Butanol,Water; 5 H,65 °C
  标题:The Reactions Of 2-(Bromoseleno)Benzenesulfonyl Chloride With Primary Amines Toward 2,2'-Diselenobis(Benzenesulfonamides) And 1,3,2-Benzothiaselenazole 1,1-Dioxides: New Oxygen-Transfer Agents,Antimicrobials And Virucides
  作者:Potaczek,P.; Et Al
  参考文献:Polish Journal Of Chemistry 日期:2004 卷标:78(5) 页码:687-697]
  
  90-11-9 = 86-53-3
  反应条件:1.1 Reagents: Cuprous Iodide Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran
  标题:Cooperative Catalyst Effects In Palladium-Mediated Cyanation Reactions Of Aryl Halides And Triflates
  作者:Anderson,Benjamin A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(23) 页码:8224-8228]
  
  90-11-9 = 86-53-3
  反应条件:1.1 Catalysts: N,N′-Dimethylethylenediamine,Potassium Iodide,Cuprous Iodide Solvents: Toluene; 24 H,130 °C; 130 °C -> Rt1.2 Reagents: Ammonia Solvents: Water1.3 Solvents: Ethyl Acetate
  标题:Copper-Catalyzed Domino Halide Exchange-Cyanation Of Aryl Bromides
  作者:Zanon,Jacopo; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2003 卷标:125(10) 页码:2890-2891]
  
  14459-95-1 = 86-53-3
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: N-Methyl-2-Pyrrolidone; 16 H,140 °C
  标题:Cyanation Of Aryl Chlorides With Potassium Hexacyanoferrate(Ii) Catalyzed By Cyclopalladated Ferrocenylimine Tricyclohexylphosphine Complexes
  作者:Cheng,Yi-Nan; Et Al
  参考文献:Synlett 日期:2007 卷标:(4) 页码:543-546]
  
  17938-06-6 = 86-53-3
  反应条件:1.1 Reagents: Oxygen,Potassium Fluoride Catalysts: Cupric Nitrate; Rt1.2 Reagents: Ammonium Iodide Solvents: Dimethylformamide; 25 H,140 °C; 140 °C -> Rt1.3 Reagents: Ammonia Solvents: Ethyl Acetate,Water; Rt
  标题:Copper-Mediated Transformation Of Organosilanes To Nitriles With Dmf And Ammonium Iodide
  作者:Wang,Zhen; Et Al
  参考文献:Organic Letters 日期:2013 卷标:15(8) 页码:1990-1993]
  
  57-13-6 = 86-53-3
  反应条件:1.1 Reagents: Phenylsilane,Zinc,Potassium Fluoride Catalysts: Bis(Acetylacetonato)Nickel,Triphos Solvents: N-Methyl-2-Pyrrolidone; 20 H,1 Atm,120 °C
  标题:Reductive Cyanation Of Organic Chlorides Using Co2 And Nh3 Via Triphos-Ni(I) Species
  作者:Dong,Yanan; Et Al
  参考文献:Nature Communications 日期:2020 卷标:11(1)

海关参考信息

• 2902300000-甲苯
  2902902000-精萘
  2926909090-其他腈基化合物
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