CAS: 86869-14-9; 2-Cyano-5-Hydroxypyridine

• 英文名称2-Cyano-5-Hydroxypyridine
• 中文名称2-氰基-5-羟基吡啶
• IUPAC名称5-hydroxypicolinonitrile
• 其它别名5-羟基吡啶-2-甲腈; 5-Hydroxypyridine-2-Carbonitrile
• CAS编号86869-14-9
• MFCD编号:MFCD07368197
• EINECS号:640-937-8
• 分子式:C6H4N2O
• 分子量:120.11
• 产品CID: 1872064
• 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: YUEKWNYGXNDQRO-UHFFFAOYSA-N
• InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H…
• 计算化学: 氢键受体数3.0氢键供体数1可旋转键数0

相似化合物

物理性质

• 沸点429.2°C at 760 mmHg
• 闪点213.4±24.6 °C
• 密度1.3±0.1 g/cm3
• pKa:3.23±0.18(预测)
• PSA:56.91
• LogP:0.65888
• 折射率1.595
• 蒸汽压0.0±1.1 mmHg at 25°C
• 外观形态米色固体
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 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)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经口)
• 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.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  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
• 安全声明24/25

欧盟法规

上下游产品

合成工艺路线路线简述

• 89809-64-3 = 86869-14-9
  反应条件:1.1 Reagents: Triethylamine,Water Catalysts: Dibromo[1,2-Di(Methoxy-Ko)Ethane]Nickel,[2,2′-Bipyridine]-5,5′-Diamine,Carbon Nitride (C3N4) (Graphitic) Solvents: Dimethylformamide,Acetonitrile; 20 Min; 12 H,25 °C
  标题:Visible Light-Catalytic Hydroxylation Of Aryl Halides With Water To Phenols By Carbon Nitride And Nickel Complex Cooperative Catalysis
  作者:Wang,Kaixuan; Et Al
  参考文献:Green Chemistry 日期:2020 卷标:22(21) 页码:7417-7423]
  
  41288-96-4 = 86869-14-9
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 0 °C; 4 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water2.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; 16 H,90 °C; 90 °C -> Rt2.2 Reagents: Ammonia Solvents: Water3.1 Reagents: Pyridinium Chloride; 6 H,160 °C
  标题:1-(2-Hydroxy-2-Methyl-3-Phenoxypropanoyl)Indoline-4-Carbonitrile Derivatives As Potent And Tissue Selective Androgen Receptor Modulators
  作者:Chekler,Eugene L. Piatnitski; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2462-2471]
  
  89809-64-3 = 86869-14-9
  反应条件:1.1 Reagents: Triethylamine Catalysts: [2,2′-Bipyridine]-5,5′-Dicarboxaldehyde,Polymer With 4,4′,4′′-(1,3,5-Triazine-2... (Nickel Complex) Solvents: Dimethylformamide,Acetonitrile,Water; 20 Min,Rt; 24 H,40 °C
  标题:Accelerated Direct Hydroxylation Of Aryl Chlorides With Water To Phenols Via The Proximity Effect In A Heterogeneous Metallaphotocatalyst
  作者:Wang,Kaixuan; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(10) 页码:6068-6080]
  
  89809-63-2 = 86869-14-9
  反应条件:1.1 Reagents: Pyridinium Chloride; 6 H,160 °C
  标题:1-(2-Hydroxy-2-Methyl-3-Phenoxypropanoyl)Indoline-4-Carbonitrile Derivatives As Potent And Tissue Selective Androgen Receptor Modulators
  作者:Chekler,Eugene L. Piatnitski; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2462-2471]
  
  86869-14-9 = 86869-14-9
  反应条件:1.1 Reagents: Guanidine Solvents: Acetonitrile; 70 °C
  标题:Parallel Synthesis Enablement Of 2-Pyridyl-5-Cyano-Pyrimidine-6-Ones-A Novel Class Of Hif-Hydroxylase Inhibitors
  作者:Chang,Shang-Poa; Et Al
  参考文献:Tetrahedron Letters 日期:2010 卷标:51(6) 页码:952-954]
  
  139585-48-1 = 86869-14-9
  反应条件:1.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; 16 H,90 °C; 90 °C -> Rt1.2 Reagents: Ammonia Solvents: Water2.1 Reagents: Pyridinium Chloride; 6 H,160 °C
  标题:1-(2-Hydroxy-2-Methyl-3-Phenoxypropanoyl)Indoline-4-Carbonitrile Derivatives As Potent And Tissue Selective Androgen Receptor Modulators
  作者:Chekler,Eugene L. Piatnitski; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2462-2471

海关参考信息

• 2933310010-吡啶
  2926909090-其他腈基化合物
  2905199090-其他饱和一元醇
  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