CAS: 97483-77-7; 5-Bromopicolinonitrile

• 英文名称5-Bromopicolinonitrile
• 中文名称5-溴-2-氰基吡啶
• IUPAC名称5-bromopicolinonitrile
• 其它别名5-溴-2-吡啶甲腈; 5-Bromo-Pyridine-2-Carbonitrile
• CAS编号97483-77-7
• MFCD编号:MFCD00234144
• EINECS号:628-634-9
• 分子式:C6H3BrN2
• 分子量:183.01
• 产品CID: 2021738
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: DMSHUVBQFSNBBL-UHFFFAOYSA-N
• InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点128-132°C
• 沸点100-110 °C at 3 mmHg
• 闪点111.2±21.8 °C
• 密度1.7±0.1 g/cm3
• pKa:-2.68±0.10(预测)
• PSA:36.68
• LogP:1.71578
• 折射率1.612
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Soluble In Dichloromethane, Ether, Ethyl Acetate And Methanol
• 敏感性常温常压下稳定，避免与强氧化剂接触。
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 储存条件惰性气氛,室温
• 产品应用该化合物用作实验室研发以及化学制造工艺.
• 性质描述熔点128-132°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS06 & GHS05;
  注释: Skull and crossbones & Corrosion
• 危险类别急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
  急性毒性 类别3(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
  严重眼损伤 类别1
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  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.
  H318 |造成严重眼损伤.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志Xn,T,Xi
• 风险等级Harmful
• 包装等级Ⅲ
• 安全声明26-36/37/39-36/37-9
• 危险类别码22-37/38-41-36/37/38-20/21/22-43
• 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 5-Bromo-2-Pyridinecarbonitrile 主要起始原料 5-Bromopyridine-2-Carboxamide 97%5-Bromopicolinamide
• 39856-50-3 = 97483-77-7
  反应条件:1.1 Solvents: Sulfolane; Rt -> 150 °C; 4 H,150 °C
  标题:Preparation Of 2-Cyano-5-Bromopyridine
  参考文献:China]
  
  31181-90-5 = 97483-77-7
  反应条件:1.1 Reagents: Iodine,Ammonia Solvents: Tetrahydrofuran,Water; 15 Min,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt
  标题:A Simple Cu-Catalyzed Coupling Approach To Substituted 3-Pyridinol And 5-Pyrimidinol Antioxidants
  作者:Nara,Susheel J.; Jha,Mukund; Brinkhorst,Johan; Zemanek,Tony J.; Pratt,Derek A.
  参考文献:Journal Of Organic Chemistry 日期:2008 卷标:73(23) 页码:9326-9333]
  
  1072-97-5 = 97483-77-7
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water; 0 - 5 °C; 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 7,Rt
  标题:Preparation Of 5-Bromo-2-Cyanopyridine
  参考文献:China]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; 12 H,100 - 110 °C1.2 Solvents: Water; Rt
  标题:Synthesis And Antiprotozoal Activity Of Aza-Analogues Of Furamidine
  作者:Ismail,Mohamed A.; Brun,Reto; Easterbrook,Judy D.; Tanious,Farial A.; Wilson,W. David; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2003 卷标:46(22) 页码:4761-4769]
  
  3430-13-5 = 97483-77-7
  反应条件:1.1 Reagents: Acetyl Chloride,Sodium Nitrite Solvents: 1,4-Dioxane; 11 H,140 °C; 140 °C -> Rt1.2 Reagents: Tert-Butyl Hydroperoxide,Sodium Carbonate Solvents: Water; Rt
  标题:Direct Transformation Of Nitrogen-Containing Methylheteroarenes To Heteroaryl Nitrile By Sodium Nitrite
  作者:Jiang,Chenhui; Chen,Yuqin; Gao,Pan; Zhang,Shuwei; Jia,Xiaodong; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(34) 页码:6341-6345]
  
  624-28-2 + 4367-08-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; Rt; 7 H,150 °C; 150 °C -> Rt1.2 Reagents: Water
  标题:Preparation Of Oxazolidinone Compound And Its Intermediate
  参考文献:China]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Reagents: Cuprous Cyanide Solvents: Dimethylformamide; Rt -> 150 °C; 5 H,150 °C
  标题:Preparation Of Oxazolidinone Derivatives As As Antibacterial Agents
  参考文献:World Intellectual Property Organization]
  
  31181-90-5 = 97483-77-7
  反应条件:1.1 Reagents: Ammonium Hydroxide,Iodine Solvents: Tetrahydrofuran,Water; 4 H,Rt
  标题:Biological Evaluation Of Isothiazoloquinolones Containing Aromatic Heterocycles At The 7-Position: In Vitro Activity Of A Series Of Potent Antibacterial Agents That Are Effective Against Methicillin-Resistant Staphylococcus Aureus
  作者:Wiles,Jason A.; Song,Yongsheng; Wang,Qiuping; Lucien,Edlaine; Hashimoto,Akihiro; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2006 卷标:16(5) 页码:1277-1281]
  
  88139-91-7 = 97483-77-7
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Iron Oxide (Fe2O3) (Reaction Product With Vulcan Xc72R And 1,10-Phenanthroline) Solvents: 2-Methyl-2-Butanol,Water; 18 H,5 Bar,130 °C
  标题:Green Synthesis Of Nitriles Using Non-Noble Metal Oxides-Based Nanocatalysts
  作者:Jagadeesh,Rajenahally V.; Junge,Henrik; Beller,Matthias
  参考文献:Nature Communications 日期:2014 卷标:5]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; 4 H,Reflux
  标题:Synthesis Of A New Polydentate Ligand Obtained By Coupling 2,6-Bis(Imino)Pyridine And (Imino)Pyridine Moieties And Its Use In Ethylene Oligomerization In Conjunction With Iron(Ii) And Cobalt(Ii) Bis-Halides
  作者:Bianchini,Claudio; Giambastiani,Giuliano; Guerrero Rios,Itzel; Meli,Andrea; Oberhauser,Werner; Et Al
  参考文献:Organometallics 日期:2007 卷标:26(20) 页码:5066-5078]
  
  19158-51-1 + 223463-13-6 = 97483-77-7
  反应条件:1.1 Reagents: Chloro(1-Methylethyl)Magnesium Solvents: Dichloromethane,Tetrahydrofuran; 0 °C; 45 Min,0 °C; 0 °C -> -78 °C1.2 Solvents: Dichloromethane; 2 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 7
  标题:Synthesis Of 5-Bromopyridyl-2-Magnesium Chloride And Its Application In The Synthesis Of Functionalized Pyridines
  作者:Song,Jinhua J.; Yee,Nathan K.; Tan,Zhulin; Xu,Jinghua; Kapadia,Suresh R.; Et Al
  参考文献:Organic Letters 日期:2004 卷标:6(26) 页码:4905-4907]
  
  31181-90-5 = 97483-77-7
  反应条件:1.1 Reagents: Ammonium Acetate,Iodobenzene Diacetate Solvents: 1,2-Dichloroethane; 4.5 H,Rt -> 40 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Metal-Free,Oxidative Condensation Of Heteroaryl- And Aryl Carbaldehydes Towards Functionalized Carbonitriles
  作者:Agyei,Eric A.; Carrick,Jesse D.
  参考文献:Chemistryselect 日期:2023 卷标:8(23)]
  
  647826-69-5 = 97483-77-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Toluene; 5 H,110 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 12,0 °C
  标题:An Efficient Synthesis Of 5-Bromopyridine-2-Carbonitrile
  作者:Markevitch,David Y.; Rapta,Miroslav; Hecker,Scott J.; Renau,Thomas E.
  参考文献:Synthetic Communications 日期:2003 卷标:33(19) 页码:3285-3289]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; 12 H,120 °C
  标题:Preparation Of Dicationic 2,5-Diarylfuran Aza-Analogs As Anti-Protozoan Agents
  参考文献:World Intellectual Property Organization]
  
  624-28-2 + 4367-08-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; 7 H,150 °C; 150 °C -> Rt1.2 Reagents: Water
  标题:Method For Preparing Oxazolidinone Compound
  参考文献:China]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; 7 H,150 °C
  标题:Discovery Of Torezolid As A Novel 5-Hydroxymethyl-Oxazolidinone Antibacterial Agent
  作者:Im,Weon Bin; Choi,Sun Ho; Park,Ju-Young; Choi,Sung Hak; Finn,John; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2011 卷标:46(4) 页码:1027-1039]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Reagents: Cuprous Cyanide Solvents: Dimethylformamide; Rt; 7 H,150 °C; 150 °C -> Rt
  标题:Preparation Of Oxazolidinone Broad-Spectrum Antibiotics
  参考文献:World Intellectual Property Organization]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Reagents: Sodium Cyanide Solvents: Dimethylformamide; 3 H,Rt -> Reflux
  标题:Synthesis And Antibacterial Activity Of Oxazolidinones Containing Pyridine Substituted With Heteroaromatic Ring
  作者:Jo,Yeong Woo; Im,Weon Bin; Rhee,Jae Keol; Shim,Mi Ja; Kim,Won Bae; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2004 卷标:12(22) 页码:5909-5915]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; 6 H,Rt -> Reflux
  标题:Study On Low-Band Gap Polymers Based On Diketopyrrolopyrrole For Organic Photovoltaic Applications
  作者:Song,Ho-Sung; Ahn,Sung Kwang; Karthikeyan,N. S.; Gal,Yong-Soon; Jin,Sung-Ho; Et Al
  参考文献:Molecular Crystals And Liquid Crystals 日期:2013 卷标:578(1) 页码:55-62]
  
  624-28-2 = 97483-77-7
  反应条件:1.1 Solvents: Dimethylformamide; Overnight,120 °C
  标题:Preparation Of Tetrazolopyridine Compound As Organic Semiconductor Material
  参考文献:World Intellectual Property Organization

海关参考信息

• 2933310010-吡啶
  2926909090-其他腈基化合物
  2939800000-其他生物碱
• 💡 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