CAS: 88-67-5; 2-Iodobenzoic Acid

• 英文名称2-Iodobenzoic Acid
• 中文名称邻碘苯甲酸
• IUPAC名称2-iodobenzoic acid
• 其它别名2-碘苯甲酸 100G; 2碘苯甲酸; 2-Iodobenzoic Acid
• CAS编号88-67-5
• MFCD编号:MFCD00002419
• EINECS号:201-850-7
• 分子式:C7H5IO2
• 分子量:248.02
• 产品CID: 1904338
• 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: CJNZAXGUTKBIHP-UHFFFAOYSA-N
• InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点160-162°C
• 沸点313.9°C at 760 mmHg
• 闪点143.6°C
• 密度2.0±0.1 g/cm3
• pKa:2.85(at 25°C)
• PSA:37.3
• LogP:1.9894
• 折射率1.666
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Soluble In Dimethyl Sulfoxide And Methanol
• 敏感性光敏感
• 外观形态淡黄色至橙棕色粉末、晶体或薄片状物
• 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或用作分析试剂.项目指标实验试剂化学纯含量≥98.0≥98.5溶点范围°C162-164160-162醇中溶解度试验合格合格碘化物(I)-≤0.0035灼烧残渣≤0.01≤0.01
• 性质描述白色或微带色泽的针状结晶或结晶性粉末.熔点162°C,相对密度2.249.溶于醇和醚,难溶于水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 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
  严重眼损伤 类别1
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H319 |造成严重眼刺激.
• 防范说明P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
• 危险等级8
• UN编号3261.0
• 危险品标志Xn,Xi
• 风险等级Irritant
• 包装等级Ⅲ
• 安全声明26-39-24/25-22-36
• 危险类别码22-37/38-41-36/37/38-20/21/22
• 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 2-Iodobenzoic Acid 主要起始原料 2-Iodobenzaldehyde
• 65-85-0 = 88-67-5
  反应条件:1.1 Reagents: Triethylamine,Silver Acetate,Iodine Catalysts: Iridium,Di-μ-Chlorodichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopen... Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 18 H,23 °C
  标题:Iriii-Catalyzed Selective Ortho-Monoiodination Of Benzoic Acids With Unbiased C-H Bonds
  作者:Weis,Erik; Johansson,Magnus J.; Martin-Matute,Belen
  参考文献:Chemistry - A European Journal 日期:2020 卷标:26(45) 页码:10185-10190]
  
  17333-86-7 + 178412-92-5 = 88-67-5
  反应条件:1.1 Reagents: Potassium Iodide
  标题:Waste-Free Chemistry Of Diazonium Salts And Benign Separation Of Coupling Products In Solid Salt Reactions
  作者:Kaupp,Gerd; Herrmann,Andreas; Schmeyers,Jens
  参考文献:Chemistry - A European Journal 日期:2002 卷标:8(6) 页码:1395-1406]
  
  67460-10-0 = 88-67-5
  反应条件:1.1 Reagents: Sodium Bisulfate Solvents: Toluene; 10 H,110 °C
  标题:Selective Debenzylation Of Benzyl Esters By Silica-Supported Sodium Hydrogen Sulphate
  作者:Hu,Yan Wei; Zuo,Li; Ye,De Yong; Duan,Wen Hu
  参考文献:Chinese Chemical Letters 日期:2009 卷标:20(10) 页码:1157-1160]
  
  17333-86-7 + 16722-51-3 = 88-67-5
  反应条件:1.1 Reagents: Potassium Iodide Solvents: Water; 200 Min,Rt
  标题:Unusually Stable,Versatile,And Pure Arenediazonium Tosylates: Their Preparation,Structures,And Synthetic Applicability
  作者:Filimonov,Victor D.; Trusova,Marina; Postnikov,Pavel; Krasnokutskaya,Elena A.; Lee,Young Min; Et Al
  参考文献:Organic Letters 日期:2008 卷标:10(18) 页码:3961-3964]
  
  610-97-9 = 88-67-5
  反应条件:1.1 Reagents: Sodium Trimethylsilanolate Solvents: Tetrahydrofuran; 18 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
  标题:Scope And Limitations Of Sodium And Potassium Trimethylsilanolate As Reagents For Conversion Of Esters To Carboxylic Acids
  作者:Lovric,Marija; Cepanec,Ivica; Litvic,Mladen; Bartolincic,Anamarija; Vinkovic,Vladimir
  参考文献:Croatica Chemica Acta 日期:2007 卷标:80(1) 页码:109-115]
  
  2142-70-3 = 88-67-5
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Sodium Hydroxide Solvents: Water; 2 - 4 H,90 °C
  标题:Halogen-Free Oxidation Of Aryl Ketones And Benzyl Nitrile Derivatives To Corresponding Carboxylic Acids By Using Naoh/ Tbhp In Aqueous Medium
  作者:Jaiswal,Arvind Kumar; Kushawaha,Ajay Kishor; Pandey,Shubham; Kumar,Abhishek; Sashidhara,Koneni V.
  参考文献:Tetrahedron 日期:2023 卷标:136]
  
  313394-93-3 = 88-67-5
  反应条件:1.1 Reagents: L-Ascorbic Acid,Tripotassium Phosphate Catalysts: Tris(2,2′-Bipyridine)Ruthenium(2+) Bis(Hexafluorophosphate) Solvents: Acetonitrile,Water; 1 H,Rt1.2 Reagents: Potassium Bisulfate Solvents: Water; Ph 2 - 3,Rt
  标题:Desyl And Phenacyl As Versatile,Photocatalytically Cleavable Protecting Groups: A Classic Approach In A Different (Visible) Light
  作者:Speckmeier,Elisabeth; Zeitler,Kirsten
  参考文献:Acs Catalysis 日期:2017 卷标:7(10) 页码:6821-6826]
  
  = 88-67-5
  反应条件:1.1 Reagents: Potassium Iodide
  标题:About Iodine Benzoic Acid And Single Derivatives Of The Same
  作者:Wachter,Wilhelm
  参考文献:Berichte Der Deutschen Chemischen Gesellschaft 日期:1893 卷标:26 页码:1744-1745]
  
  26260-02-6 = 88-67-5
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1) Catalysts: Tetrabutylammonium Bromide Solvents: Acetone,Dichloromethane,Water; 24 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Palladium Supported On Silk Fibroin For Suzuki-Miyaura Cross-Coupling Reactions
  作者:Rizzo,Giorgio; Albano,Gianluigi; Lo Presti,Marco; Milella,Antonella; Omenetto,Fiorenzo G.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2020 卷标:2020(45) 页码:6992-6996]
  
  1829-28-3 = 88-67-5
  反应条件:1.1 Catalysts: Alumina,Potassium Fluoride1.2 Solvents: Water1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Potassium Fluoride Doped Alumina: An Effective Reagent For Ester Hydrolysis Under Solvent Free Conditions
  作者:Kabalka,George W.; Wang,Lei; Pagni,Richard M.
  参考文献:Green Chemistry 日期:2001 卷标:3(5) 页码:261-262]
  
  65-85-0 = 88-67-5
  反应条件:1.1 Reagents: Triethylamine,Silver Acetate,Iodine Catalysts: Iridium,Di-μ-Chlorodichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopen... Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 18 H,Rt
  标题:Palladium/norbornene-Catalyzed Decarbonylative Difunctionalization Of Thioesters
  作者:Han,Ming-Liang; Chen,Jun-Jie; Xu,Hui; Huang,Zhi-Cong; Huang,Wei; Et Al
  参考文献:Jacs Au 日期:2021 卷标:1(11) 页码:1877-1884]
  
  65-85-0 = 88-67-5
  反应条件:1.1 Reagents: Triethylamine,Silver Acetate,Iodine Catalysts: Iridium,Di-μ-Chlorodichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopen... Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 18 H,Rt
  标题:Palladium-Catalyzed Decarbonylative Catellani Reaction
  作者:Han,Ming-Liang; Chen,Jun-Jie; Xu,Hui; Huang,Zhi-Cong; Huang,Wei; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-11]
  
  610-97-9 = 88-67-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 18 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Gold-Catalysed Oxyarylation Of Styrenes And Mono- And Gem-Disubstituted Olefins Facilitated By An Iodine(Iii) Oxidant
  作者:Ball,Liam T.; Lloyd-Jones,Guy C.; Russell,Christopher A.
  参考文献:Chemistry - A European Journal 日期:2012 卷标:18(10) 页码:2931-2937]
  
  5159-41-1 = 88-67-5
  反应条件:1.1 Reagents: Morpholine,4-Methyl-,4-Oxide,Hydrate (1:1) Catalysts: Tpap Solvents: Acetonitrile; 20 Min,Rt1.2 Reagents: Isopropanol; Rt
  标题:Tpap-Catalyzed Direct Oxidation Of Primary Alcohols To Carboxylic Acids Through Stabilized Aldehyde Hydrates
  作者:Schmidt,Andrea-Katharina C.; Stark,Christian B. W.
  参考文献:Organic Letters 日期:2011 卷标:13(16) 页码:4164-4167]
  
  110349-26-3 = 88-67-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Tetrahydrofuran; 3 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Cleavage Of Tert-Butyl Benzoates With Nah In Dmf: Comments On The Mechanism And A Simple And Safe Alternative Procedure
  作者:Filali,Emane; Lloyd-Jones,Guy C.; Sale,David A.
  参考文献:Synlett 日期:2009 卷标:(2) 页码:205-208]
  
  = 88-67-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 2.5 H,0 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 10 Min,0 °C
  标题:Synthesis Of 1-Hydroxy-1,2-Benziodoxol-3(1H)-One-1-Oxide (Ibx) And The Application In The Synthesis Of Tazobactam
  作者:Xu,Wei-Liang; Li,Yun-Zheng; Zhang,Qing-Shan; Zhu,He-Sun
  参考文献:Jingxi Huagong 日期:2004 卷标:21(4) 页码:304-306]
  
  26260-02-6 = 88-67-5
  反应条件:1.1 Reagents: Potassium Hydroxide,Silver Nitrate Solvents: Water; 5 Min,Rt1.2 1 H,60 °C; 60 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis,Structural Characterization,And Antimicrobial Activity Of Novel Ferrocene-N-Acyl Hydrazones Designed By Means Of Molecular Simplification Strategy Celebrating The 100Th Anniversary Of The Birth Of Professor Paulo Freire
  作者:Dos Santos Filho,Jose Mauricio; De Souza Castro,Marcos Venicius Batista
  参考文献:Journal Of Organometallic Chemistry 日期:2022 卷标:979

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
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• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
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