CAS: 873-62-1; 3-Cyanophenol

• 英文名称3-Cyanophenol
• 中文名称3-羟基苯腈
• IUPAC名称3-hydroxybenzonitrile
• 其它别名3-氰基苯酚; 3-Cyanophenol; Nsc 60108; M-Cyanophenol; M-Hydroxybenzonitrile; 3-Hydroxybenzoic Acid Nitrile
• CAS编号873-62-1
• MFCD编号:MFCD00002252
• EINECS号:212-845-4
• FDA UNII编号:P2Q3H42P95
• 分子式:C7H5NO
• 分子量:119.12
• 产品CID: 1880056
• 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: SGHBRHKBCLLVCI-UHFFFAOYSA-N
• InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H…
• 计算化学: 氢键受体数2.0氢键供体数1可旋转键数0

物理性质

• 熔点78-81°C
• 沸点222.38 °C at 760 mmHg
• 闪点107.6±22.6 °C
• 密度1.2±0.1 g/cm3
• pKa:8.61(at 25°C)
• PSA:44.02
• LogP:1.26388
• 折射率1.591
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Slightly Soluble In Water.
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态几乎白色至浅米色-粉红色结晶粉末
• 储存条件惰性气氛,室温
• 产品应用该化合物用于合成新的SEROTONIN 5-HT1A 体内有抗感知活动的受体激动剂.
• 性质描述熔点75-80°C

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
  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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级6.1
• UN编号3276
• 危险品标志Xn
• 风险等级Harmful
• 包装等级III
• 安全声明26-36-45-36/37/39
• 危险类别码22-36/37/38-20/21/22
• WGK Germany2

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 3-Cyanophenol 主要起始原料 3-Methoxybenzonitrile
• 150255-96-2 = 873-62-1
  反应条件:1.1 Reagents: Diisopropylethylamine,Oxygen Catalysts: 10-Methyl-3(10H)-Acridinone Solvents: Water; 42 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:N-Substituted 3(10H)-Acridones As Visible-Light,Water-Soluble Photocatalysts: Aerobic Oxidative Hydroxylation Of Arylboronic Acids
  作者:Xie,Hong-Yan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(10) 页码:5236-5241]
  
  150255-96-2 = 873-62-1
  反应条件:1.1 Reagents: Tetrabutylammonium Tetrafluoroborate,Diisopropylethylamine,Oxygen Solvents: Acetonitrile; 3 H,1 Atm,Rt
  标题:An Electrochemical Method For Deborylative Hydroxylation Of Arylboronic Acids Under Metal-Free Conditions
  作者:Fu,Zhengjiang; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2022 卷标:17(24)]
  
  22241-18-5 = 873-62-1
  反应条件:1.1 Reagents: Acetyl Chloride; 3 Min,100 °C
  标题:An Efficient Solvent Free And One-Pot Conversion Of Aldehydes Into Nitriles Using Nh2Oh.HCL/ch3Cocl/charcoal System
  作者:Sharghi,H.; Et Al
  参考文献:Journal Of The Iranian Chemical Society 日期:2004 卷标:1(1) 页码:28-32]
  
  22241-18-5 = 873-62-1
  反应条件:1.1 Catalysts: Acetyl Chloride,Zinc Oxide (Zno); 30 H,80 °C
  标题:Zno/ch3Cocl: A New And Highly Efficient Catalyst For Dehydration Of Aldoximes Into Nitriles Under Solvent-Free Condition
  作者:Sarvari,Mona Hosseini
  参考文献:Synthesis 日期:2005 卷标:(5) 页码:787-790]
  
  100-83-4 = 873-62-1
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride Solvents: N-Methyl-2-Pyrrolidone
  标题:A Simple And Highly Efficient One-Pot Chemoselective Synthesis Of Nitriles From Aldehydes: Mechanistic Insight And Selectivity Control Through Modulation Of Electronic And Steric Factors
  作者:Chakraborti,Asit K.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2001 卷标:(10) 页码:1000-1006]
  
  1338215-30-7 = 873-62-1
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 1 H,60 °C
  标题:2-(Trimethylsilyl)Ethanol As A New Alcohol Equivalent For Copper-Catalyzed Coupling Of Aryl Iodides
  作者:Dibakar,Mullick; Et Al
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(41) 页码:5338-5341]
  
  1527-89-5 = 873-62-1
  反应条件:1.1 Reagents: 1-Decanethiol,Hexamethyldisilazane Catalysts: N′′′-[p,P-Bis(Dimethylamino)-N-(1,1-Dimethylethyl)Phosphinimyl]-N,N,N′,N′,N′′,N′... Solvents: Tetrahydrofuran,Hexane; 3 H,100 °C1.2 Reagents: Potassium Carbonate Solvents: Methanol; 0 °C; 30 Min,Rt
  标题:Organic Superbase T-Bu-P4-Catalyzed Demethylations Of Methoxyarenes
  作者:Shigeno,Masanori; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2022 卷标:9(14) 页码:3656-3663]
  
  1527-89-5 = 873-62-1
  反应条件:1.1 Reagents: Silicon Tetrachloride,Lithium Iodide Catalysts: Borate(1-),(Acetato-Ko)Trifluoro-,Hydrogen (1:1),(T-4)- Solvents: Acetonitrile,Toluene; 15 H,70 °C1.2 Reagents: Sodium Bicarbonate Solvents: Ethanol; 20 Min,Rt
  标题:Enhanced O-Dealkylation Activity Of Sicl4/lii With Catalytic Amount Of Bf3
  作者:Zewge,Daniel; Et Al
  参考文献:Tetrahedron Letters 日期:2004 卷标:45(19) 页码:3729-3732]
  
  620-24-6 = 873-62-1
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Boron Nitride (Sulfonated) Solvents: Water; 30 Min; 8 H,80 °C
  标题:Nanoarchitectonics Of Sulfonated Boron Nitride For Catalytic Synthesis Of Aromatic Nitriles Under Mild Conditions
  作者:Choudhary,Priyanka; Et Al
  参考文献:Chemical Engineering Journal (Amsterdam 日期:2023 卷标:475]
  
  19438-10-9 = 873-62-1
  反应条件:1.1 Reagents: Sodium Bis(Trimethylsilyl)Amide Solvents: 1,3-Dimethyl-2-Imidazolidinone,Tetrahydrofuran1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Sodium Bis(Trimethylsilyl)Amide In The "One-Flask" Transformation Of Aromatic Esters To Nitriles
  作者:Hwu,Jih Ru; Et Al
  参考文献:Synthesis 日期:1998 卷标:(3) 页码:329-332]
  
  31206-11-8 = 873-62-1
  反应条件:1.1 Reagents: Trichloroacetic Acid Catalysts: Uranyl Nitrate Solvents: Acetone; 72 H,-78 °C
  标题:Uranyl-Photocatalyzed Hydrolysis Of Diaryl Ethers At Ambient Environment For The Directional Degradation Of 4-O-5 Lignin
  作者:Zhou,Yilin; Et Al
  参考文献:Jacs Au 日期:2021 卷标:1(8) 页码:1141-1146]
  
  64479-84-1 = 873-62-1
  反应条件:1.1 Reagents: Sodium Nitrite Solvents: Dimethylformamide; 5 H,100 °C
  标题:Dual Utility Of Heterogeneous Catalyst Zsm-5 For C-C Cleavage Leading To Nitriles,And For The Synthesis Of Hydrazides
  作者:Ghodse,Shrikant M.; Et Al
  参考文献:Chemistryselect 日期:2018 卷标:3(16) 页码:4168-4172]
  
  99-06-9 = 873-62-1
  反应条件:1.1 Reagents: Carbon Tetrachloride Catalysts: Vanadyl Acetylacetonate Solvents: Acetonitrile; 6 H,150 °C
  标题:Nitrilation Of Carboxylic Acids With Acetonitrile Catalyzed By Molybdenum And Vanadium Complexes
  作者:Khusnutdinov,R. I.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2016 卷标:52(9) 页码:1282-1286]
  
  69113-59-3 = 873-62-1
  反应条件:1.1 Reagents: Triethylamine,Oxygen Solvents: Acetonitrile; 5 Min; 24 H,32 °C
  标题:Photoinduced Hydroxylation Of Organic Halides Under Mild Conditions
  作者:Cai,Yue-Ming; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(20) 页码:8479-8484]
  
  150255-96-2 = 873-62-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Benzaldehyde,4,4′,4′′-Nitrilotris-,Polymer With 2,4,6-Trimethyl-1,3,5-Triazine Solvents: Dimethylformamide; 48 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Persistent Radical Cation Sp2 Carbon-Covalent Organic Framework For Photocatalytic Oxidative Organic Transformations
  作者:Cheng,Yuan-Zhe; Et Al
  参考文献:Applied Catalysis 日期:2022 卷标:306]
  
  22241-18-5 = 873-62-1
  反应条件:1.1 Reagents: Diethyl Chlorophosphate Solvents: Toluene; Rt -> Reflux; 30 Min,Reflux; Reflux -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Neutralized,Rt
  标题:Efficient Beckmann Rearrangement And Dehydration Of Oximes Via Phosphonate Intermediates
  作者:Sardarian,A. R.; Et Al
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(14) 页码:2639-2643]
  
  6952-59-6 = 873-62-1
  反应条件:1.1 Reagents: Cesium Carbonate,Benzaldehyde Oxime Catalysts: Cuprous Iodide,N1-[(4-Methoxyphenyl)Methyl]-N2-[2-Methyl-6-(5-Methyl-1,3,4-Oxadiazol-2-Yl)Pheny... Solvents: Dimethyl Sulfoxide; 18 H,80 °C
  标题:Reagent Design And Ligand Evolution For The Development Of A Mild Copper-Catalyzed Hydroxylation Reaction
  作者:Fier,Patrick S.; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(11) 页码:3033-3036]
  
  6952-59-6 = 873-62-1
  反应条件:1.1 Reagents: Cesium Carbonate,Benzaldehyde Oxime Catalysts: [2′-(Amino-Kn)[1,1′-Biphenyl]-2-Yl-Kc][bis(1,1-Dimethylethyl)[3-Methoxy-6-Methyl... Solvents: Dimethylformamide; 18 H,80 °C
  标题:Synthesis Of Complex Phenols Enabled By A Rationally Designed Hydroxide Surrogate
  作者:Fier,Patrick S.; Et Al
  参考文献:Angewandte Chemie 日期:2017 卷标:56(16) 页码:4478-4482]
  
  6952-59-6 = 873-62-1
  反应条件:1.1 Catalysts: Nickel Bromide,(T-4)-[3-Ethyl-5-[1-(4-Ethyl-3,5-Dimethyl-2H-Pyrrol-2-Ylidene-Kn)Ethyl]-2,4-Dime... Solvents: Acetonitrile; 15 Min,Rt1.2 Reagents: Diisopropylethylamine,Water Catalysts: [2,2′-Bipyridine]-6,6′-Diamine Solvents: Dimethylformamide; 24 H,50 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis Of Phenols: Organophotoredox/nickel Dual Catalytic Hydroxylation Of Aryl Halides With Water
  作者:Yang,Liu; Et Al
  参考文献:Angewandte Chemie 日期:2018 卷标:57(7) 页码:1968-1972]
  
  100-83-4 = 873-62-1
  反应条件:1.1 Reagents: 1,3-Dimethyl-2-Imidazolidinone Catalysts: Sodium Bis(Trimethylsilyl)Amide Solvents: Tetrahydrofuran; 12 H,185 °C
  标题:Sodium Bis(Trimethylsilyl)Amide In The Oxidative Conversion Of Aldehydes To Nitriles
  作者:Hwu,Jih Ru; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2006 卷标:(11) 页码:2513-2516]
  
  100-83-4 = 873-62-1
  反应条件:1.1 Reagents: Methanesulfonyl Chloride,Hydroxyamine Hydrochloride Catalysts: Alumina; 15 Min,100 °C
  标题:A Direct Synthesis Of Nitriles And Amides From Aldehydes Using Dry Or Wet Alumina In Solvent Free Conditions
  作者:Sharghi,Hashem; Et Al
  参考文献:Tetrahedron 日期:2002 卷标:58(52) 页码:10323-10328]
  
  = 873-62-1
  反应条件:1.1 Catalysts: [2′-(Amino-Kn)[1,1′-Biphenyl]-2-Yl-Kc][bis(1,1-Dimethylethyl)[2′,4′,6′-Tris(1-Me... Solvents: Tetrahydrofuran,Water; 18 H,40 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 5 Min,Rt
  标题:Mild Palladium-Catalyzed Cyanation Of (Hetero)Aryl Halides And Triflates In Aqueous Media
  作者:Cohen,Daniel T.; Et Al
  参考文献:Organic Letters 日期:2015 卷标:17(2) 页码:202-205]
  
  = 873-62-1
  反应条件:1.1 Catalysts: Zinc,Palladium,Tris[μ-[(1,2-η:4,5-η)-(1E,4E)-1,5-Diphenyl-1,4-Pentadien-3-One]]Di-,...,Tri-Tert-Butylphosphonium Tetrafluoroborate Solvents: N-Methyl-2-Pyrrolidone,Water; 3 H,80 °C
  标题:Statistical Experimental Design-Driven Discovery Of Room-Temperature Conditions For Palladium-Catalyzed Cyanation Of Aryl Bromides
  作者:Stazi,Federica; Et Al
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(11) 页码:1815-1818]
  
  766-84-7 = 873-62-1
  反应条件:1.1 Reagents: Cesium Carbonate,Boric Acid (H3Bo3) Catalysts: Palladium Diacetate,[3,6-Dimethoxy-2′,4′,6′-Tris(1-Methylethyl)[1,1′-Biphenyl]-2-Yl]Bis(1,1-Dimethyl... Solvents: N-Methyl-2-Pyrrolidone; 24 H,80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Palladium-Catalyzed Hydroxylation Of Aryl Halides With Boric Acid
  作者:Song,Zhi-Qiang; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(21) 页码:8470-8474]
  
  766-84-7 = 873-62-1
  反应条件:1.1 Catalysts: Nickel Bromide,(T-4)-[3-Ethyl-5-[1-(4-Ethyl-3,5-Dimethyl-2H-Pyrrol-2-Ylidene-Kn)Ethyl]-2,4-Dime... Solvents: Acetonitrile; 15 Min,Rt1.2 Reagents: Diisopropylethylamine,Water Catalysts: [2,2′-Bipyridine]-6,6′-Diamine Solvents: Dimethylformamide; 24 H,50 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis Of Phenols: Organophotoredox/nickel Dual Catalytic Hydroxylation Of Aryl Halides With Water
  作者:Yang,Liu; Et Al
  参考文献:Angewandte Chemie 日期:2018 卷标:57(7) 页码:1968-1972]
  
  766-84-7 = 873-62-1
  反应条件:1.1 Reagents: Triethylamine Catalysts: [2,2′-Bipyridine]-5,5′-Dicarboxaldehyde,Polymer With 4,4′,4′′-(1,3,5-Triazine-2... (Nickel Complex) Solvents: Dimethylformamide,Acetonitrile,Water; 20 Min,Rt; 24 H,40 °C
  标题:Accelerated Direct Hydroxylation Of Aryl Chlorides With Water To Phenols Via The Proximity Effect In A Heterogeneous Metallaphotocatalyst
  作者:Wang,Kaixuan; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(10) 页码:6068-6080]
  
  1198597-45-3 = 873-62-1
  反应条件:1.1 Reagents: Water Catalysts: Potassium Acetate Solvents: Dimethylformamide,Water; 14 H,25 °C
  标题:Practical,Environment-Benign And Atom Economic Koac-Catalyzed Deprotection Of Aryl Tips Ethers Under Mild Fluoride-Free Conditions
  作者:Wang,Bing; Et Al
  参考文献:Green Chemistry 日期:2009 卷标:11(8) 页码:1112-1114]
  
  1527-89-5 = 873-62-1
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; 6.5 H,105 °C; 105 °C -> Rt1.2 Reagents: Water
  标题:Efficient Method For Demethylation Of Aryl Methyl Ether Using Aliquat-336
  作者:Waghmode,Suresh B.; Et Al
  参考文献:Synthetic Communications 日期:2013 卷标:43(24) 页码:3272-3280]
  
  620-24-6 = 873-62-1
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Manganese Oxide (Mno2),Cobalt Oxide Solvents: Water; 8 H,2.0 Mpa,100 °C1.2 -
  标题:Direct Oxidative Cyanation Of Alcohol To Nitrile Over Coox/mno2 With Aqueous Ammonia
  作者:Wang,Weitao; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2022 卷标:10(44) 页码:14636-14647]
  
  91880-75-0 = 873-62-1
  反应条件:1.1 Reagents: Zinc,Ammonium Chloride Catalysts: Vitamin B12 Solvents: Methanol; 15 Min,Rt; 20 H,Rt
  标题:Photoinduced Vitamin B12-Catalysis For Deprotection Of (Allyloxy)Arenes
  作者:Giedyk,Maciej; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(10) 页码:2670-2673]
  
  1877-72-1 = 873-62-1
  反应条件:1.1 Reagents: Sodium Fluoride,Lithium Perchlorate,Bis(Pinacolato)Diborane,N-Fluorobenzenesulfonimide Catalysts: Tetrakis(Acetonitrile)Copper(1+) Tetrafluoroborate Solvents: Acetonitrile; 6 H1.2 Reagents: Sodium Peroxoborate,Oxygen Solvents: Tetrahydrofuran,Water; 1 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Decarboxylative Borylation And Cross-Coupling Of (Hetero)Aryl Acids Enabled By Copper Charge Transfer Catalysis
  作者:Dow,Nathan W.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(14) 页码:6163-6172]
  
  99-06-9 = 873-62-1
  反应条件:1.1 65 Bar,350 °C1.2 Solvents: Acetonitrile; 45 Min,65 Bar,350 °C
  标题:Direct Preparation Of Nitriles From Carboxylic Acids In Continuous Flow
  作者:Cantillo,David; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(20) 页码:10567-10571]
  
  = 873-62-1
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; 1 - 4 H,Rt
  标题:Reductive Removal Of Methoxyacetyl Protective Group Using Sodium Borohydride
  作者:Gadekar,Pradip K.; Et Al
  参考文献:Tetrahedron Letters 日期:2014 卷标:55(2) 页码:503-506]
  
  69113-59-3 = 873-62-1
  反应条件:1.1 Reagents: Formic Acid,Triethylamine,Oxygen Catalysts: Copper Bromide (Cubr) Solvents: Acetonitrile; 5 Min,Rt; 48 H,Rt
  标题:Synergistic Photo-Copper-Catalyzed Hydroxylation Of (Hetero)Aryl Halides With Molecular Oxygen
  作者:Zhang,Xin; Et Al
  参考文献:Organic Letters 日期:2018 卷标:20(3) 页码:708-711

海关参考信息

• 2902300000-甲苯
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
  2918290000-其他含酚基羧酸
• 💡 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
• ➥ Globally Harmonized System
• ➥ REACH监管