CAS: 95-88-5; 4-Chlorobenzene-1,3-Diol

• 英文名称4-Chlorobenzene-1,3-Diol
• 中文名称4-氯间苯二酚
• IUPAC名称4-chlorobenzene-1,3-diol
• 其它别名1-氯-2,4-二羟基苯; 4氯间苯二酚
• CAS编号95-88-5
• MFCD编号:MFCD00002273
• EINECS号:202-462-0
• FDA UNII编号:87045U29QJ
• 分子式:C6H5ClO2
• 分子量:144.56
• 产品CID: 2013200
• 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: JQVAPEJNIZULEK-UHFFFAOYSA-N
• InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H…
• 计算化学: 氢键受体数2.0氢键供体数2可旋转键数0

物理性质

• 熔点106-108°C
• 沸点147 °C at 18 mmHg
• 闪点146-148 °C/18mm
• 密度1.471 g/cm3
• PH:3.8 (10g/l, H2O, 30°C)
• pKa:8.28±0.10(预测)
• PSA:40.46
• LogP:1.7512
• 折射率1.4620 (估算)
• 蒸汽压0.16Pa at 25°C
• 溶解性>1000G/l
• 敏感性Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
• 外观形态米色粉末
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用用于有机合成,制取各种醚类衍生物;用于晒图纸;分析试剂.
• 性质描述无色结晶.熔点89°C(106.5-107.5°C),沸点259°C,147°C(2.4kPa).溶于水;醇;醚;苯和二硫化碳.能升华.与氯化铁作用生成蓝紫色.

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(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  皮肤致敏 类别1
  水生慢性毒性 类别3
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  特定目标器官毒性 - 单次接触 类别3
  严重眼损伤 类别1
  皮肤致敏 类别1B
  水生慢性毒性 类别2
  水生急性毒性 类别1
  Aquatic Acute 2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H412 |对水生生物有害并具有长期持续影响.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H335 |可能引起呼吸道刺激.
  H318 |造成严重眼损伤.
  H411 |对水生生物有毒并具有长期持续影响.
  H400 |对水生生物毒性极大.
  H401 |Toxic to aquatic life
• 防范说明P261-P264-P270-P272-P273-P280-P302+P352-P362-P391-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xn
• 包装等级Ⅲ
• 安全声明26-36-22
• 危险类别码20/21/22-36/37/38-22
• 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 4-Chlororesorcinol 主要起始原料 2,6-Dihydroxybenzoic Acid
• 57918-73-7 = 95-88-5
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Lithium Bis(Trimethylsilyl)Amide Solvents: Tetrahydrofuran; Rt -> 0 °C; 3 Min,0 °C; 1 H,0 °C; 0 °C -> -78 °C1.2 Reagents: Tosyl Chloride Solvents: Tetrahydrofuran; 10 Min,-78 °C; 30 Min,-78 °C; 20 H,-78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Practical Regioselective Halogenation Of Vinylogous Esters: Synthesis Of Differentiated Mono-Haloresorcinols And Polyhalogenated Resorcinols
  作者:Chen,Xiaohong; Liu,Xiaoguang; Martinez,Jenny S.; Mohr,Justin T.
  参考文献:Tetrahedron 日期:2016 卷标:72(26) 页码:3653-3665]
  
  = 95-88-5
  反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Diethyl Ether; > 50 °C; 1 H,45 °C; 45 °C -> 20 °C; 1 H,10 - 20 °C
  标题:Method For Preparing Phloroglucinol From Resorcinol,N-Chlorosuccinimide And Potassium Hydroxide
  参考文献:China]
  
  = 95-88-5
  反应条件:1.1 Catalysts: Chloroperoxidase
  标题:Chloroperoxidase-Catalyzed Halogenation Of Apolar Compounds Using Reversed Micelles
  作者:Franssen,M. C. R.; Weijnen,J. G. J.; Vincken,J. P.; Laane,C.; Van Der Plas,H. C.
  参考文献:Biocatalysis 日期:1988 卷标:1(3) 页码:205-16]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Synthesis And Antifungal Activities Of Six Coumarin Compounds Carrying Halogen And Trifluoromethyl
  作者:Zhu,Hai-Yun; Yang,De-Suo
  参考文献:Baoji Wenli Xueyuan Xuebao 日期:2011 卷标:31(4) 页码:12-14]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Reactions Of Resorcinol And Its Chlorinated Derivatives With Monochloramine: Identification Of Intermediates And Products
  作者:Heasley,Victor L.; Alexander,Michael B.; Deboard,Ryan H.; Hanley,John C. Jr.; Mckee,Tawnya C.; Et Al
  参考文献:Environmental Toxicology And Chemistry 日期:1999 卷标:18(11) 页码:2406-2409]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Aqueous Chlorination Kinetics And Mechanism Of Substituted Dihydroxybenzenes
  作者:Rebenne,Laurence M.; Gonzalez,Alicia C.; Olson,Terese M.
  参考文献:Environmental Science And Technology 日期:1996 卷标:30(7) 页码:2235-2242]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Resorcinols
  参考文献:Japan]
  
  960602-02-2 = 95-88-5 + 960602-09-9
  反应条件:1.1 Reagents: Isopropanol Catalysts: Triacylglycerol Lipase Solvents: Diisopropyl Ether; 15 Min,45 °C
  标题:Secondary Alcohols Act As Better Nucleophiles Than Primary Alcohols In The Lipase-Catalyzed Regioselective Deacylation Of Dihydroxybenzenes Acylated At Both Phenolic Hydroxyls
  作者:Miyazawa,Toshifumi; Hamada,Manabu; Morimoto,Ryohei; Murashima,Takashi; Yamada,Takashi
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(47) 页码:8334-8337]
  
  9005-53-2 = 95-88-5 + 615-67-8 + 52095-14-4 + 51903-92-5 + 2419-74-1 + 108562-61-4 + 85972-65-2
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 5 Min,Ph 3.5 - 41.2 Reagents: Chlorine Dioxide; 60 Min,65 °C
  标题:Structural Transformation Of Lignin From Eucalyptus During Chlorine Dioxide Bleaching
  作者:Qin,Chengrong; Huang,Lingzhi; Lv,Quanfeng; Nie,Shuangxi; Yao,Shuangquan
  参考文献:Bioresources 日期:2019 卷标:14(1) 页码:1265-1278]
  
  = 95-88-5
  反应条件:1.1 Reagents: Hydrochloric Acid,Dimethyldioxirane Solvents: Acetone,Water
  标题:Dioxirane Oxidations Of Compounds Other Than Alkenes
  作者:Adam,Waldemar; Zhao,Cong-Gui; Jakka,Kavitha
  参考文献:Organic Reactions (Hoboken 日期:2007 卷标:69 页码:1-346]
  
  = 95-88-5
  反应条件:1.1 Reagents: Hydrochloric Acid,Dimethyldioxirane Solvents: Acetone,Water
  标题:Selective Halogenation Of Aromatics By Dimethyldioxirane And Halogen Ions
  作者:Bovicelli,Paolo; Mincione,Enrico; Antonioletti,Roberto; Bernini,Roberta; Colombari,Maria
  参考文献:Synthetic Communications 日期:2001 卷标:31(19) 页码:2955-2963]
  
  = 95-88-5
  反应条件:1.1 Catalysts: Chloroperoxidase
  标题:Haloperoxidases In Reversed Micelles: Use In Organic Synthesis And Optimization Of The System
  作者:Franssen,M. C. R.; Weijnen,J. G. J.; Vincken,J. P.; Laane,C.; Van Der Plas,H. C.
  参考文献:Studies In Organic Chemistry (Amsterdam) 日期:1987 卷标:29 页码:289-94]
  
  = 95-88-5
  反应条件:1.1 Reagents: Sulfuryl Chloride
  标题:Reaction Of Phenols And Their Derivatives With Aromatic Compounds In The Presence Of Acidic Agents. Iv. Condensation Of Substituted Resorcinols With Benzene And Chlorobenzene
  作者:Repinskaya,I. B.; Koptyug,V. A.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1980 卷标:16(7) 页码:1508-14]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Synthesis,Structural Elucidation,And Antibacterial Evaluation Of Some Flavones Derived From Coumarin
  作者:Chavhan,Jv.; Patil,Ss.
  参考文献:International Journal Of Pharmaceutical 日期:2018 卷标:8(1) 页码:64-67]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Smart Polymers Containing Substituted Coumarin Side Groups Enable Photo-Induced Tuning Of Focal Length Of Intraocular Lenses
  作者:Schraub,Martin; Hampp,Norbert
  参考文献:Proceedings Of Spie 日期:2011 卷标:7885]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Regioselective Meta Hydroxylation Of Chloride Derivatives Of Aniline And Phenol
  作者:Berrier,Christian; Carreyre,Helene; Jacquesy,Jean Claude; Jouannetaud,Marie Paule
  参考文献:New Journal Of Chemistry 日期:1990 卷标:14(4) 页码:283-7]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:Resorcinols From M-Phenylenediamines
  参考文献:Japan]
  
  = 95-88-5 [标题:Reaction Conditions
  标题:2,6-Dihydroxybenzoic Acid Derivatives As Anthelimintics
  作者:Rushcig,H.; Koenig J.; Duewel,D.; Loewe,H.
  参考文献:Arzneimittel-Forschung 日期:1973 卷标:23(12) 页码:1745-58]
  
  = 95-88-5 + 2138-22-9
  反应条件:1.1 Reagents: Acetic Acid Catalysts: Ferrous Chloride,L-Proline,N-[(1,1-Dimethylethoxy)Carbonyl]-L-Cysteinyl-,Methyl Ester,Bimol. (... Solvents: Acetonitrile,Water; 10 Min,Rt1.2 Reagents: Hydrogen Peroxide; Rt; 1 H,80 °C
  标题:Iron-Catalyzed Arene C-H Hydroxylation
  作者:Cheng,Lu; Wang,Huihui; Cai,Hengrui; Zhang,Jie; Gong,Xu; Et Al
  参考文献:Science (Washington 日期:2021 卷标:374(6563) 页码:77-81]
  
  = 95-88-5 + 6201-65-6
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Potassium Chloride,Oxygen Solvents: Acetonitrile,Water; 8 H,50 °C
  标题:An Improved Process For The Oxidative Halogenation Of Aromatic Compounds
  参考文献:India

海关参考信息

• 2903919090-氯苯
  2907221000-对苯二酚
  2908191000-对氯苯酚
  2908999090-其他酚的硝化衍生物
• 💡 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

专利信息

其他信息查阅

• ➥ 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