CAS: 89809-63-2; 5-Methoxypicolinonitrile

• 英文名称5-Methoxypicolinonitrile
• 中文名称5-甲氧基吡啶-2-甲腈
• IUPAC名称5-methoxypicolinonitrile
• 其它别名2-氰基- 5 -甲氧基; 5-Methoxypyridine-2-Carbonitrile
• CAS编号89809-63-2
• MFCD编号:MFCD08543467
• EINECS号:640-916-3
• 分子式:C7H6N2O
• 分子量:134.14
• 产品CID: 1919880
• 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: XUGRSPXJFBZQSS-UHFFFAOYSA-N
• InChI=1S/C7H6N2O/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,1H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 沸点292.1±20.0 °C at 760 mmHg
• 闪点123.6 °C
• 密度1.115g/cm3
• pKa:-4.06±0.10(预测)
• PSA:45.91
• LogP:0.96188
• 折射率1.521
• 蒸汽压0.0037 mmHg at 25 °C
• 外观形态白色至类白色固体
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  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
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

上下游产品

合成工艺路线路线简述

• 1350932-95-4 = 89809-63-2
  反应条件:1.1 Reagents: Sodium Nitrite Solvents: Dimethylformamide; 5 H,100 °C
  标题:Dual Utility Of Heterogeneous Catalyst Zsm-5 For C-C Cleavage Leading To Nitriles,And For The Synthesis Of Hydrazides
  作者:Ghodse,Shrikant M.; Takale,Balaram S.; Hatvate,Navnath T.; Telvekar,Vikas N.
  参考文献:Chemistryselect 日期:2018 卷标:3(16) 页码:4168-4172]
  
  97483-77-7 = 89809-63-2
  反应条件:1.1 Reagents: Quinuclidine Catalysts: Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel,4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine Solvents: Acetonitrile; 40 H,Rt
  标题:Solar-Driven Tandem Photoredox Nickel-Catalysed Cross-Coupling Using Modified Carbon Nitride
  作者:Qin,Yangzhong; Martindale,Benjamin C. M.; Sun,Rui; Rieth,Adam J.; Nocera,Daniel G.
  参考文献:Chemical Science 日期:2020 卷标:11(28) 页码:7456-7461]
  
  139585-48-1 = 89809-63-2
  反应条件:1.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; 16 H,90 °C; 90 °C -> Rt1.2 Reagents: Ammonia Solvents: Water
  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; Unwalla,Rayomond; Khan,Taukeer A.; Tangirala,Raghuram S.; Johnson,Mark; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2462-2471]
  
  55270-47-8 = 89809-63-2
  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]
  
  97483-77-7 = 89809-63-2
  反应条件:1.1 Reagents: Quinuclidine Catalysts: 2,2′-Bipyridine,Nickel Dichloride,[1,1′:4′,1′′-Terphenyl]-4,4′′-Dicarboxaldehyde,Polymer With 5′-(4-Aminophenyl)[... Solvents: Dimethylacetamide; 10 H
  标题:Covalent Organic Frameworks Editing For Efficient Metallaphotoredox Catalytic Carbon-Oxygen Cross Coupling Of Aryl Halides With Alcohols
  作者:Meng,Di; Xue,Jing; Zhang,Yufan; Liu,Tianjiao; Chen,Chuncheng; Et Al
  参考文献:Catalysis Science & Technology 日期:2023 卷标:13(5) 页码:1518-1526]
  
  327056-62-2 = 89809-63-2
  反应条件:1.1 Solvents: Methanol; 12 H,Reflux
  标题:Use Of A Readily Removable Auxiliary Group For The Synthesis Of Pyrrolidones By The Palladium-Catalyzed Intramolecular Amination Of Unactivated γ C(Sp3)-H Bonds
  作者:He,Gang; Zhang,Shu-Yu; Nack,William A.; Li,Qiong; Chen,Gong
  参考文献:Angewandte Chemie 日期:2013 卷标:52(42) 页码:11124-11128

海关参考信息

• 2905110000-甲醇
  2933310010-吡啶
  2926909090-其他腈基化合物
  2909199090-其他醚及其衍生物
• 💡 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

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