CAS: 873-76-7; (4-Chlorophenyl)Methanol

• 英文名称(4-Chlorophenyl)Methanol
• 中文名称4-氯苄醇
• IUPAC名称(4-chlorophenyl)methanol
• 其它别名对氯苄醇(4-氯苯甲醇); 4氯苄醇; 4-Chlorobenzenemethanol; 1-Chloro-4-(Hydroxymethyl)Benzene; 4-Chlorobenzyl Alcohol; 4-Chlorophenylmethanol; Nsc 5286; P-Chlorobenzyl Alcohol; P-Chlorobenzylalcohol
• CAS编号873-76-7
• MFCD编号:MFCD00004652
• EINECS号:212-852-2
• FDA UNII编号:GF8BS53B6V
• 分子式:C7H7ClO
• 分子量:142.58
• 产品CID: 1880220
• 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: PTHGDVCPCZKZKR-UHFFFAOYSA-N
• InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2…
• 计算化学: 氢键受体数1.0氢键供体数1可旋转键数1

物理性质

• 熔点68-71°C
• 沸点234°C at 760 mmHg
• 闪点95.4±20.4 °C
• 密度1.2±0.1 g/cm3
• pKa:14.16±0.10(预测)
• PSA:20.23
• LogP:1.8323
• 折射率1.566
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性2.5G/l
• 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米色结晶针状物或粉末
• 储存条件密封, 常温干燥保存
• 产品应用医药,有机合成中间体
• 性质描述熔点69-72°C,沸点234°C,闪点70°C质量标准:外观白色结晶粉末熔点≥98水分≤0.3残渣≤0.5醚类≤0.5含量≥99

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
  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)
  严重眼刺激 类别2A
• 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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志F+
• 安全声明22-24/25
• 危险类别码S24/25:Prevent skin and eye contact.
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 104-88-1 = 873-76-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum,Gallium Sesquioxide Solvents: Isopropanol; 2 H,110 °C
  标题:A Dual-Site Functionally Separated Catalyst Based On Gallium Oxide And Pt For Effective Furfural Hydrogenation Under Hydrogen Spillover Conditions
  作者:Wang,Changxu; Et Al
  参考文献:Fuel 日期:2024 卷标:357]
  
  = 873-76-7
  反应条件:1.1 Reagents: Silica (Chlorinated Silica),Lithium Aluminum Hydride Solvents: Diethyl Ether; 300 Min,Rt
  标题:Lialh4/silica Chloride As A New Chemoselective System For Reduction Of Carbonyl Compounds And Phosphine Oxides
  作者:Khalilzadeh,M. A.; Et Al
  参考文献:Journal Of The Iranian Chemical Society 日期:2008 卷标:5(4) 页码:699-705]
  
  14856-74-7 = 873-76-7
  反应条件:1.1 Reagents: Water Catalysts: Potassium(1+),(1,4,7,10,13,16-Hexaoxacyclooctadecane-Ko1,Ko4,Ko7,Ko10,Ko13,Ko16... Solvents: Dichloromethane; 25 Min,Rt
  标题:A New Crystal Engineering Approach For The Synthesis Of {[k.18-Crown-6]I3}N As A Nanotube-Like And Recyclable Catalyst For The Chemoselective Silylation Of Alcohols
  作者:Zolfigol,M. A.; Et Al
  参考文献:Journal Of The Iranian Chemical Society 日期:2011 卷标:8(2) 页码:484-494]
  
  14856-74-7 = 873-76-7
  反应条件:1.1 Catalysts: Polyethylene Glycol Solvents: Methanol; 2 Min,Rt
  标题:Introduction Of Peg-Sanm Nanocomposite As A New And Highly Efficient Reagent For The Promotion Of The Silylation Of Alcohols And Phenols And Deprotection Of The Silyl Ethers
  作者:Shirini,Farhad; Et Al
  参考文献:Phosphorus 日期:2016 卷标:191(6) 页码:944-951]
  
  18484-03-2 = 873-76-7
  反应条件:1.1 Reagents: Methanol Catalysts: Aluminum Chloride
  标题:Solvent-Free Tetrahydropyranylation (Thp) Of Alcohols And Phenols And Their Regeneration By Catalytic Aluminum Chloride Hexahydrate
  作者:Namboodiri,Vasudevan V.; Et Al
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(7) 页码:1143-1146]
  
  18484-03-2 = 873-76-7
  反应条件:1.1 Catalysts: 1-Propanesulfonic Acid (Silica-Supported) Solvents: Methanol; 19 - 20 S,Rt
  标题:Parallel Synthesis In An Eof-Based Micro Reactor
  作者:Wiles,Charlotte; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2007 卷标:(46) 页码:4928-4930]
  
  74-11-3 = 873-76-7
  反应条件:1.1 Reagents: Phenylsilane Catalysts: 1816266-78-0 Solvents: Tetrahydrofuran; 20 H,30 °C; 30 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Rt
  标题:Chelating Bis(1,2,3-Triazol-5-Ylidene) Rhodium Complexes: Versatile Catalysts For Hydrosilylation Reactions
  作者:Nguyen,Thanh V. Q.; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2016 卷标:358(3) 页码:452-458]
  
  = 873-76-7
  反应条件:1.1 Reagents: Sodium Benzoate Catalysts: Tributylamine Solvents: Water; 7 H,100 °C; 100 °C -> Rt; Rt -> 80 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 80 °C
  标题:Chlorobenzyl Alcohols From Chlorobenzyl Chlorides Via Corresponding Benzoate Esters: Process Development Aspects
  作者:Joshi,S. R.; Et Al
  参考文献:Organic Process Research & Development 日期:2000 卷标:4(1) 页码:23-29]
  
  = 873-76-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol; 1 H,50 °C
  标题:Ceo2-Nanocubes As Efficient And Selective Catalysts For The Hydroboration Of Carbonyl Groups
  作者:Bhawar,Ramesh; Et Al
  参考文献:New Journal Of Chemistry 日期:2021 卷标:45(33) 页码:15028-15034]
  
  5406-33-7 = 873-76-7
  反应条件:1.1 Reagents: Titanium Isopropoxide Solvents: Tetrahydrofuran1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:A Convenient And Efficient Procedure For Selective Deprotection Of Acetates By Titanium(Iv) Isopropoxide
  作者:Ranu,Brindaban C.; Et Al
  参考文献:Journal Of The Indian Chemical Society 日期:1999 卷标:76(11-12) 页码:547-549]
  
  5406-33-7 = 873-76-7
  反应条件:1.1 Catalysts: 2281774-78-3 Solvents: Methanol; 40 H,50 °C
  标题:A Dinuclear Dysprosium Complex As An Air-Stable And Recyclable Catalyst: Applications In The Deacetylation Of Carbohydrate,Aliphatic,And Aromatic Molecules
  作者:Chiu,Ting-Yu; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2019 卷标:14(5) 页码:627-633]
  
  7335-27-5 = 873-76-7
  反应条件:1.1 Catalysts: Potassium Tert-Butoxide,Cobalt Chloride (Cocl2) Solvents: 1,4-Dioxane; 15 Min,60 °C1.2 Catalysts: Sodium Triethylborohydride Solvents: Water; 5 Min,60 °C1.3 Reagents: Phenylsilane; 15 H,60 °C
  标题:Selective Ligand-Free Cobalt-Catalysed Reduction Of Esters To Aldehydes Or Alcohols
  作者:Rysak,Vincent; Et Al
  参考文献:Catalysis Science & Technology 日期:2018 卷标:8(14) 页码:3504-3512]
  
  7335-27-5 = 873-76-7
  反应条件:1.1 Reagents: Hafnium Tetrachloride,Sodium Borohydride Solvents: Tetrahydrofuran; 0.1 H,0 °C; 3 H,0 °C -> Rt1.2 Solvents: Tetrahydrofuran; Rt; 3.5 H,Rt1.3 Solvents: Water; 0 °C
  标题:Highly Efficient System For Reduction Of Carboxylic Acids And Their Derivatives To Alcohols By Hfcl4/kbh4
  作者:Zhang,Jianghua; Et Al
  参考文献:Synthetic Communications 日期:2009 卷标:39(9) 页码:1640-1654]
  
  7335-27-5 = 873-76-7
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol,Tetrahydrofuran; 40 Min,70 °C
  标题:Simple Reduction Of Ethyl,Isopropyl And Benzyl Aromatic Esters To Alcohols Using Sodium Borohydride-Methanol System
  作者:Da Costa,Jorge C. S.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2006 卷标:(1) 页码:128-133]
  
  1200-16-4 = 873-76-7
  反应条件:1.1 Catalysts: 1-Methylimidazolium Hydrogen Sulfate; 1 Min,120 °C
  标题:Microwave-Assisted Rapid And Efficient Deprotection And Direct Esterification And Silylation Of Mom And Eom Ethers Catalyzed By [hmim][hso4] As A Bronsted Acidic Ionic Liquid
  作者:Mohammadpoor-Baltork,Iraj; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2010 卷标:141(10) 页码:1083-1088]
  
  1202-68-2 = 873-76-7
  反应条件:1.1 Catalysts: 1-Methylimidazolium Hydrogen Sulfate; 1 Min,120 °C
  标题:Microwave-Assisted Rapid And Efficient Deprotection And Direct Esterification And Silylation Of Mom And Eom Ethers Catalyzed By [hmim][hso4] As A Bronsted Acidic Ionic Liquid
  作者:Mohammadpoor-Baltork,Iraj; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2010 卷标:141(10) 页码:1083-1088]
  
  256521-85-4 = 873-76-7
  反应条件:1.1 Catalysts: Iron Oxide (Fe3O4),(3-Mercaptopropyl)Trimethoxysilane (Oxidized),Silica Solvents: Methanol; 140 Min,Rt
  标题:Silica-Coated Fe3O4 Magnetic Nanoparticles-Supported Sulfonic Acid As A Highly Active And Reusable Catalyst In Chemoselective Deprotection Of Tert-Butyldimethylsilyl (Tbdms) Ethers
  作者:Hossein Javadi,Sayed; Et Al
  参考文献:Phosphorus 日期:2020 卷标:195(1) 页码:7-12]
  
  256521-85-4 = 873-76-7
  反应条件:1.1 Catalysts: Methanesulfonic Acid,1,1,1-Trifluoro-,Hafnium(4+) Salt (4:1) Solvents: Methanol; 7 H,Rt1.2 Reagents: Triethylamine; Neutralized,Rt
  标题:Hafnium Triflate As A Highly Potent Catalyst For Regio- And Chemoselective Deprotection Of Silyl Ethers
  作者:Zheng,Xiu-An; Et Al
  参考文献:Synthesis 日期:2019 卷标:51(4) 页码:944-952]
  
  59016-93-2 = 873-76-7
  反应条件:1.1 Reagents: Chlorosuccinimide Catalysts: Cuprous Chloride Solvents: Acetonitrile; 12 H,80 °C
  标题:Copper-Catalyzed Chlorination Of Functionalized Arylboronic Acids
  作者:Wu,Hong; Et Al
  参考文献:Organic Letters 日期:2010 卷标:12(6) 页码:1192-1195]
  
  104-88-1 = 873-76-7
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol; 0 °C; 2 H,0 °C -> Rt1.2 Reagents: Water; Rt
  标题:Oxidation Under Reductive Conditions: From Benzylic Ethers To Acetals With Perfect Atom-Economy By Titanocene(Iii) Catalysis
  作者:Funk,Pierre; Et Al
  参考文献:Angewandte Chemie 日期:2021 卷标:60(10) 页码:5482-5488]
  
  104-88-1 = 873-76-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: 1-Butyl-3-Methylimidazolium Hexafluorophosphate (Reaction Products With [ir(Cod)Cl]2,Phosphine Functionalized); 60 Min,Rt; 10 H,3 Mpa,30 °C
  标题:Selective Hydrogenation Of Aromatic Compounds Using Modified Iridium Nanoparticles
  作者:Jiang,He-Yan; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2018 卷标:32(4)]
  
  = 873-76-7
  反应条件:1.1 Reagents: Zinc,(1-Methylpyrrolidine)Bis[tetrahydroborato(1-)-Kh,Kh′]- Solvents: Tetrahydrofuran; Rt; 70 Min,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:N-Methylpyrrolidine-Zinc Borohydride: A New Stable And Efficient Reducing Agent In Organic Synthesis
  作者:Tajbakhsh,M.; Et Al
  参考文献:Synthetic Communications 日期:2003 卷标:33(2) 页码:229-236]
  
  = 873-76-7
  反应条件:1.1 Reagents: 2658542-92-6 Solvents: Acetonitrile; 10 Min,Rt
  标题:Synthesis,Crystal And Structural Characterization,Hirshfeld Surface Analysis And Dft Calculations Of Three Symmetrical And Asymmetrical Phosphonium Salts
  作者:Nokhbeh,Seyed Reza; Et Al
  参考文献:Journal Of Molecular Structure 日期:2021 卷标:1242]
  
  14856-74-7 = 873-76-7
  反应条件:1.1 Catalysts: Chlorosulfonic Acid Solvents: Methanol; 3 Min,Rt
  标题:A Mild And Efficient Method For The Chemoselective Trimethylsilylation Of Alcohols And Phenols And Deprotection Of Silyl Ethers Using Sulfonic Acid-Functionalized Ordered Nanoporous Na+-Montmorillonite
  作者:Shirini,Farhad; Et Al
  参考文献:Applied Clay Science 日期:2012 卷标:58 页码:67-72]
  
  18484-03-2 = 873-76-7
  反应条件:1.1 Catalysts: Sulfuric Acid (Silica Linked) Solvents: Methanol; 30 Min,Rt
  标题:Efficient Deprotection Of Tetrahydropyranyl Ethers By Silica Sulfuric Acid
  作者:Hajipour,Abdol R.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2006 卷标:(1) 页码:305-308]
  
  = 873-76-7
  反应条件:1.1 Catalysts: Mcm 41So3H Solvents: Acetonitrile; 20 Min,Rt
  标题:Highly Efficient Protection Of Alcohols As Trityl Ethers Under Solvent-Free Conditions,And Recovery Catalyzed By Reusable Nanoporous Mcm-41-So3H
  作者:Gholamzadeh,Zeynab; Et Al
  参考文献:Comptes Rendus Chimie 日期:2014 卷标:17(10) 页码:994-1001]
  
  = 873-76-7
  反应条件:1.1 Catalysts: 2,4,6-Triphenylpyrylium Tetrafluoroborate Solvents: Acetonitrile; 5 Min,Rt; 2 H,Rt
  标题:Photocatalytic Cleavage Of Trityl Protected Thiols And Alcohols
  作者:Murakami,Sho; Et Al
  参考文献:Synthesis 日期:2023 卷标:55(9) 页码:1367-1374]
  
  74-11-3 = 873-76-7
  反应条件:1.1 Reagents: Silica (Chlorinated Silica),Lithium Aluminum Hydride Solvents: Diethyl Ether; 390 Min,Rt
  标题:Lialh4/silica Chloride As A New Chemoselective System For Reduction Of Carbonyl Compounds And Phosphine Oxides
  作者:Khalilzadeh,M. A.; Et Al
  参考文献:Journal Of The Iranian Chemical Society 日期:2008 卷标:5(4) 页码:699-705]
  
  74-11-3 = 873-76-7
  反应条件:1.1 Reagents: Bis(Pinacolato)Diborane Catalysts: Potassium Tert-Butoxide Solvents: Thf-D8; 17 H,Rt
  标题:Mild And Chemoselective Carboxylic Acid Reduction Promoted By Borane Catalysis
  作者:Lunic,Danijela; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(43)]
  
  98-88-4 = 873-76-7
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; 30 Min,Rt
  标题:In Situ Activation Of Benzyl Alcohols With Xtalfluor-E: Formation Of 1,1-Diarylmethanes And 1,1,1-Triarylmethanes Through Friedel-Crafts Benzylation
  作者:Desroches,Justine; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(8) 页码:2243-2246]
  
  = 873-76-7
  反应条件:1.1 Reagents: Sodium Bicarbonate Catalysts: 1-Butyl-3-Methylimidazolium Tetrafluoroborate Solvents: Water; 1 H,80 °C
  标题:A Green And Highly Efficient Protocol For Hydrolysis Of Substituted Benzyl Chloride Using Ionic Liquid [bmim]Bf4 As Phase-Transfer Catalyst
  作者:Zhang,Yong; Et Al
  参考文献:Advanced Materials Research (Zuerich 日期:2010 卷标:113 页码:113-116]
  
  = 873-76-7
  反应条件:1.1 Reagents: Silica Solvents: Methanol; 6 H,60 °C
  标题:Aluminium-Catalyzed Selective Hydroboration Of Esters And Epoxides To Alcohols: C-O Bond Activation
  作者:Sarkar,Nabin; Et Al
  参考文献:Chemistry - A European Journal 日期:2023 卷标:29(4)]
  
  = 873-76-7
  反应条件:1.1 Reagents: Methanol; 4 H,Reflux
  标题:Homoleptic Zinc-Catalyzed Hydroboration Of Aldehydes And Ketones In The Presence Of Hbpin
  作者:Kumar,Gobbilla Sai; Et Al
  参考文献:European Journal Of Inorganic Chemistry 日期:2020 卷标:2020(5) 页码:467-474]
  
  5406-33-7 = 873-76-7
  反应条件:1.1 Catalysts: Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Methanol; 1 - 12 H,Rt
  标题:Kmno4-Catalyzed Chemoselective Deprotection Of Acetate And Controllable Deacetylation-Oxidation In One Pot
  作者:Gurawa,Aakanksha; Et Al
  参考文献:New Journal Of Chemistry 日期:2020 卷标:44(39) 页码:16702-16707]
  
  1200-16-4 = 873-76-7
  反应条件:1.1 Catalysts: 12-Tungstophosphoric Acid Solvents: Ethanol; 4.5 H,Reflux
  标题:H3Pw12O40 - A Selective,Environmentally Benign,And Reusable Catalyst For The Preparation Of Methoxymethyl And Ethoxymethyl Ethers And Their Deprotection Under Mild Conditions
  作者:Mohammadpoor-Baltork,Iraj; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:2008 卷标:86(8) 页码:831-840]
  
  6971-51-3 = 873-76-7
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Tetrabutylammonium Bromide Solvents: Benzene
  标题:A Simple Economical Procedure For Selective Reduction Of Aldehydes In Presence Of Ketones
  作者:Rao,C. Someswara; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1986 卷标:(6) 页码:626-9]
  
  1202-68-2 = 873-76-7
  反应条件:1.1 Catalysts: 12-Tungstophosphoric Acid Solvents: Ethanol; 4.5 H,Reflux
  标题:H3Pw12O40 - A Selective,Environmentally Benign,And Reusable Catalyst For The Preparation Of Methoxymethyl And Ethoxymethyl Ethers And Their Deprotection Under Mild Conditions
  作者:Mohammadpoor-Baltork,Iraj; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:2008 卷标:86(8) 页码:831-840]
  
  19350-69-7 = 873-76-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Water; 10 Min,130 °C
  标题:Direct,Metal-Free Synthesis Of Benzyl Alcohols And Deuterated Benzyl Alcohols From P-Toluenesulfonylhydrazones Using Water As Solvent
  作者:Garcia-Munoz,Angel; Et Al
  参考文献:Synthesis 日期:2012 卷标:44(14) 页码:2237-2242]
  
  623-03-0 = 873-76-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Carbonylchlorohydrotris(Triphenylphosphine)Ruthenium Solvents: 1,4-Dioxane,Water; 18 H,10 Bar,120 °C
  标题:Ruthenium-Catalyzed Deaminative Hydrogenation Of Aliphatic And Aromatic Nitriles To Primary Alcohols
  作者:Molnar,Istvan Gabor; Et Al
  参考文献:Chemcatchem 日期:2017 卷标:9(22) 页码:4175-4178]
  
  59016-93-2 = 873-76-7
  反应条件:1.1 Reagents: Chlorosuccinimide Catalysts: 1-(1,1-Dimethylethyl) (2S,4R)-4-Hydroxy-1,2-Pyrrolidinedicarboxylate (Mcm-41 Supported Copper Chloride Complex) Solvents: Acetonitrile; 16 H,80 °C
  标题:A Highly Efficient Heterogeneous Copper-Catalyzed Chlorodeboronation Of Arylboronic Acids Leading To Chlorinated Arenes
  作者:He,Wen; Et Al
  参考文献:Rsc Advances 日期:2017 卷标:7(2) 页码:764-770

海关参考信息

• 2902300000-甲苯
  2903919090-氯苯
  2905110000-甲醇
  2906210000-苄醇
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