CAS: 873-63-2; 3-Chlorobenzyl Alcohol

• 英文名称3-Chlorobenzyl Alcohol
• 中文名称3-氯苄醇
• IUPAC名称(3-chlorophenyl)methanol
• 其它别名3-氯苯甲醇; 间氯苄醇; M-Chlorobenzyl Alcohol; 3-Chlorobenzyl Alcohol
• CAS编号873-63-2
• MFCD编号:MFCD00004632
• EINECS号:212-847-5
• FDA UNII编号:CPF4FF63L8
• 分子式:C7H7ClO
• 分子量:142.58
• 产品CID: 1880074
• 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: ZSRDNPVYGSFUMD-UHFFFAOYSA-N
• InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/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236 °C
• 沸点234.1°C at 760 mmHg
• 闪点110°C
• 密度1.2±0.1 g/cm3
• pKa:14.09±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
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态无色至几乎无色透明液体
• 储存条件密封, 常温干燥保存
• 性质描述沸点237°C.

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
  水生慢性毒性 类别3
  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.
  H412 |对水生生物有害并具有长期持续影响.
• 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Xi
• 风险等级Irritant
• 安全声明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

• 合成目标产物 3-Chlorobenzyl Alcohol 主要起始原料 Benzenemethanol, 3-Chloro-, 1-Acetate
• 2905-65-9 = 873-63-2
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Cerium Trichloride Solvents: Ethanol; 24 H,20 - 30 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 20 - 30 °C
  标题:Cecl3-Catalyzed Reduction Of Methyl Esters Of Carboxylic Acids To Corresponding Alcohols With Sodium Borohydride
  作者:Xu,Yinan; Et Al
  参考文献:Synthetic Communications 日期:2010 卷标:40(22) 页码:3423-3429]
  
  618-46-2 = 873-63-2
  反应条件:1.1 Reagents: Silica (Chlorinated Silica),Lithium Aluminum Hydride Solvents: Diethyl Ether; 480 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]
  
  21388-93-2 = 873-63-2
  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]
  
  535-80-8 = 873-63-2
  反应条件:1.1 Reagents: Benzaldehyde,Water Catalysts: Samarium Iodide (Smi2),Methanesulfonic Acid,1,1,1-Trifluoro-,Samarium(3+) Salt (3:1) Solvents: Methanol,Tetrahydrofuran
  标题:Novel And Facile Selective Reduction Of Carboxylic Acids With A Samarium Diiodide-Lanthanide Triflate-Methanol-Base System
  作者:Kamochi,Yasuko; Et Al
  参考文献:Tetrahedron Letters 日期:2000 卷标:41(3) 页码:341-344]
  
  535-80-8 = 873-63-2
  反应条件:1.1 Reagents: Diisopropylethylamine Catalysts: 2-Chlorotrityl Chloride (Polystyrene Crosslinked Divinylbenzene Beads Bound) Solvents: Dichloromethane; 60 Min,25 - 30 °C1.2 Reagents: Sodium Borohydride Catalysts: Copper Sulfate Solvents: Methanol; 60 - 65 °C; 20 Min,60 - 65 °C
  标题:Reduction Of Aliphatic,Aromatic And Heteroaromatic Carboxylic Acid Derivatives To Alcohol Promoted By Trityl Resin Under Presence Of Copper Sulphate And Sodium Borohydride Catalytic System
  作者:Kalola,Anirudhdha G.; Et Al
  参考文献:Heterocyclic Letters 日期:2022 卷标:12(1) 页码:87-99]
  
  63316-58-5 = 873-63-2
  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]
  
  1128-76-3 = 873-63-2
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Catalysts: Chloro[1,3-Dihydro-1-[2-[methyl[[(1-Methylethyl)Amino][(1-Methylethyl)Imino]Meth... Solvents: 1,4-Dioxane; 5 Min,40 °C1.2 Reagents: Hydrogen,15-Crown-5 Solvents: 1,4-Dioxane; Rt; 24 H,100 Bar,60 °C
  标题:A Bifunctional Copper Catalyst Enables Ester Reduction With H2: Expanding The Reactivity Space Of Nucleophilic Copper Hydrides
  作者:Zimmermann,Birte M.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(40) 页码:16865-16873]
  
  1128-76-3 = 873-63-2
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Catalysts: Chloro[1,3-Dihydro-1-[2-[methyl[[(1-Methylethyl)Amino][(1-Methylethyl)Imino]Meth... Solvents: 1,4-Dioxane; 5 Min,40 °C1.2 Reagents: Hydrogen Catalysts: 15-Crown-5 Solvents: 1,4-Dioxane; Rt; 24 H,100 Bar,60 °C
  标题:A Bifunctional Copper Catalyst Enables Ester Reduction With H2: Expanding The Reactivity Space Of Nucleophilic Copper Hydrides
  作者:Zimmermann,Birte M.; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-9]
  
  618-48-4 = 873-63-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Potassium Tert-Butoxide,Ruthenium,Carbonylchloro[6-[(Diphenylphosphino-Kp)Methyl]-2,2′-Bipyridine-Kn1,K... Solvents: Tetrahydrofuran; 36 H,14 Atm,110 °C
  标题:Selective Hydrogenation Of Primary Amides And Cyclic Dipeptides Under Ru-Catalysis
  作者:Subaramanian,Murugan; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(82) 页码:12411-12414]
  
  372942-48-8 = 873-63-2
  反应条件:1.1 Reagents: Nickel Dichloride,Sodium Borohydride Solvents: Methanol; 2 H,Rt1.2 Reagents: Methanol
  标题:Nickel Boride Mediated Cleavage Of 1,3-Oxathiolanes: A Convenient Approach To Deprotection And Reduction
  作者:Khurana,Jitender M.; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2016 卷标:147(6) 页码:1113-1116]
  
  = 873-63-2
  反应条件:1.1 Reagents: P-Cymene Monooxygenase Solvents: Ethanol
  标题:Biotransformations Catalyzed By Cloned P-Cymene Monooxygenase From Pseudomonas Putida F1
  作者:Nishio,Toshiyuki; Et Al
  参考文献:Applied Microbiology And Biotechnology 日期:2001 卷标:55(3) 页码:321-325]
  
  2905-65-9 = 873-63-2
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: 1,4-Dioxane,Water
  标题:Improved Procedure For The Reduction Of Esters To Alcohols By Sodium Borohydride
  作者:Bianco,A.; Et Al
  参考文献:Synthetic Communications 日期:1988 卷标:18(15) 页码:1765-71]
  
  2905-65-9 = 873-63-2
  反应条件:1.1 Reagents: Lithium Borohydride Solvents: Methanol,Anisole; 80 °C1.2 Reagents: Water
  标题:Selective Reduction Of Carboxylic Esters Enabled By A Coaxial Double-Tube Continuous-Flow Reactor With On-The-Fly H2 Degassing
  作者:Wu,Jiale; Et Al
  参考文献:Reaction Chemistry & Engineering 日期:2023 卷标:8(6) 页码:1414-1426]
  
  587-04-2 = 873-63-2
  反应条件:1.1 Reagents: Lithium Perchlorate Solvents: Ethanol,Water; 20 H,Rt
  标题:Water Oxidation Couples To Electrocatalytic Hydrogenation Of Carbonyl Compounds And Unsaturated Carbon-Carbon Bonds By Nickel
  作者:Behrouzi,Leila; Et Al
  参考文献:Scientific Reports 日期:2022 卷标:12(1)]
  
  587-04-2 = 873-63-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Potassium Carbonate,Copper Oxide (Cuo),Silica Solvents: Ethanol; 1 H,1.4 Mpa,120 °C
  标题:Potassium Carbonate (K2Co3)-Assisted Copper-Catalyzed Liquid-Phase Hydrogenation Of Furfural: Striking Promotion Synergy Enables A Superior High Furfuryl Alcohol Yield At Mild Reaction Conditions
  作者:Zhang,Zhaoxia; Et Al
  参考文献:Industrial & Engineering Chemistry Research 日期:2022 卷标:61(45) 页码:16643-16652]
  
  587-04-2 = 873-63-2
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: 2247385-46-0 Solvents: Isopropanol; 12 H,82 °C
  标题:Chemoselective Transfer Hydrogenation Of Nitroarenes,Ketones And Aldehydes Using Acylthiourea Based Ru(Ii)(P-Cymene) Complexes As Precatalysts
  作者:Sathishkumar,Pushpanathan N.; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2018 卷标:876 页码:57-65]
  
  618-46-2 = 873-63-2
  反应条件:1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine,Zinc Borohydride Solvents: Diethyl Ether
  标题:Efficient Reduction Of Acyl Chlorides With Zinc Borohydride-N,N,N',N'-Tetramethylethylenediamine
  作者:Kotsuki,Hiyoshizo; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1988 卷标:61(7) 页码:2684-6]
  
  618-46-2 = 873-63-2
  反应条件:1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine,Zinc Borohydride Solvents: Diethyl Ether,Tetrahydrofuran
  标题:Efficient Reduction Of Acyl Chlorides With Zinc Borohydride-N,N,N',N'-Tetramethylethylenediamine
  作者:Kotsuki,Hiyoshizo; Et Al
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(35) 页码:4213-14]
  
  21388-93-2 = 873-63-2
  反应条件:1.1 Catalysts: Poly(Sulfonylimino-1,2-Ethanediyliminosulfonyl-2,7-Naphthalenediyl) Solvents: Water; 15 Min,Rt
  标题:Synthesis,Characterization And Application Of Poly(N,N'-Dibromo-Nethylnaphthyl- 2,7-Disulfonamide) As An Efficient Catalyst For The Acetylation And Deacetylation Reactions
  作者:Khazaei,Ardeshir; Et Al
  参考文献:Letters In Organic Chemistry 日期:2014 卷标:11(3) 页码:159-167]
  
  535-80-8 = 873-63-2
  反应条件:1.1 Reagents: Phosphoric Acid,Samarium Iodide (Smi2) Solvents: Tetrahydrofuran
  标题:Reductions With Samarium(Ii) Iodide
  作者:Molander,Gary A.
  参考文献:Organic Reactions (Hoboken 日期:1994 卷标:46]
  
  4152-90-3 = 873-63-2
  反应条件:1.1 Reagents: Methanol Catalysts: Sodium Hydroxide Solvents: Water; 2 H,7 Atm,240 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Base-Catalyzed Direct Transformation Of Benzylamines Into Benzyl Alcohols
  作者:Kanbara,Yutaka; Et Al
  参考文献:Synlett 日期:2012 卷标:23(5) 页码:706-710]
  
  1128-76-3 = 873-63-2
  反应条件:1.1 Catalysts: 2914898-10-3 Solvents: Hexane,1,4-Dioxane; 5 Min,Rt1.2 Reagents: Hydrogen,Lithium Tert-Butoxide; 24 H,10 Bar,110 °C; 110 °C -> Rt1.3 Reagents: Trifluoroacetic Acid; Rt
  标题:A Triphos-Modified Tungsten Piano-Stool Complex For The Homogeneous (Conjugate) Hydrogenation Of Ketones And Esters
  作者:Vielhaber,Thomas; Et Al
  参考文献:Journal Of Catalysis 日期:2022 卷标:416 页码:352-363]
  
  97839-36-6 = 873-63-2
  反应条件:1.1 Reagents: Zinc Borohydride Solvents: Diethyl Ether
  标题:Facile Reduction Of Benzenethiol Esters Under Mild Conditions With Zinc Borohydride
  作者:Kotsuki,Hiyoshizo; Et Al
  参考文献:Chemistry Letters 日期:1986 卷标:(6) 页码:1003-4]
  
  1878-65-5 = 873-63-2
  反应条件:1.1 Reagents: Sodium Bicarbonate,Ceric Ammonium Nitrate Catalysts: Silver Carbonate,4,4′-Dimethyl [2,2′-Bipyridine]-4,4′-Dicarboxylate Solvents: Acetonitrile,Chlorobenzene,Water; 12 H,55 °C1.2 Reagents: N-Methylformamide Solvents: Water; 12 H,100 °C
  标题:Synthesis Of Benzylic Alcohols By Decarboxylative Hydroxylation
  作者:Yu,Qian; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(1) 页码:47-52]
  
  63503-60-6 = 873-63-2
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Triphenylphosphine,Rhodium Trichloride Solvents: Tetrahydrofuran; Rt -> 150 °C; 12 H,150 °C
  标题:Experimental And Density Functional Theory Studies On Hydroxymethylation Of Phenylboronic Acids With Paraformaldehyde Over A Rh-Pph3 Catalyst
  作者:Wang,Kuan ; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2021 卷标:35(2)]
  
  104-88-1 = 873-63-2
  反应条件:1.1 Reagents: Tetrabutylammonium Acetate Catalysts: Iridium,Di-μ-Chlorodichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopen...,Pyridine,2-(4-Ethenylphenyl)-,Polymer With 1,4-Diethenylbenzene And Ethenylben... Solvents: Dichloromethane; 20 H,Rt1.2 Catalysts: Potassium Tert-Butoxide Solvents: Isopropanol; 32 Min,90 °C
  标题:A Monolith Immobilized Iridium Cp* Catalyst For Hydrogen Transfer Reactions Under Flow Conditions
  作者:Rojo,Maria Victoria; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(6) 页码:1768-1777]
  
  = 873-63-2
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:The Photosolvolysis Of N-Arylmethyladenines. Photoremovable N-Arylmethyl Protective Groups For N-Containing Compounds
  作者:Er-Rhaimini,A.; Et Al
  参考文献:Tetrahedron Letters 日期:1990 卷标:31(40) 页码:5757-60

海关参考信息

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