CAS: 89-41-8; 4-Methoxy-3-Nitrobenzoic Acid

• 英文名称4-Methoxy-3-Nitrobenzoic Acid
• 中文名称4-甲氧基-3-硝基苯甲酸
• IUPAC名称4-methoxy-3-nitrobenzoic acid
• 其它别名3-硝基对甲氧基苯甲酸; 4-Methoxy-3-Nitrobenzoate
• CAS编号89-41-8
• MFCD编号:MFCD00007256
• EINECS号:201-906-0
• FDA UNII编号:DD71O31OLZ
• 分子式:C8H7NO5
• 分子量:197.14
• 产品CID: 1916016
• 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: ANXBDAFDZSXOPQ-UHFFFAOYSA-N
• InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点192-194°C
• 沸点334.23 °C at 760 mmHg
• 闪点178.5±23.7 °C
• 密度1.4±0.1 g/cm3
• pKa:3.85±0.10(预测)
• PSA:89.67
• LogP:1.3016
• 折射率1.588
• 蒸汽压0.0±0.9 mmHg at 25°C
• 外观形态淡黄色结晶粉末
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于合成:BIPHEP-1-OME[BIHEEP=(2,2,2-之二(苯磷苯基苯基))苯],丁二烯与甲酰胺类芥子碱的还原联结催化剂,具有潜在的抗沙尘物活性
• 性质描述类白色,微黄色结晶,熔点191-194°C

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
  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P264-P270-P273-P330-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn
• 安全声明24/25
• 危险类别码22-51
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 100-09-4 = 89-41-8
  反应条件:1.1 Reagents: Nitric Acid Solvents: Water; Rt -> 80 °C; 10 Min,80 °C1.2 Reagents: Water
  标题:Synthesis Of 4-Chloro-7-Methoxy-6-Pivalamidoquinazoline
  作者:Li,Dongfang; Sha,Yaowu
  参考文献:Huaxue Yanjiu Yu Yingyong 日期:2008 卷标:20(9) 页码:1216-1219]
  
  65447-44-1 = 89-41-8
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1)
  标题:Imidazole Derivatives. Viii. Nitration Of 4(5)-(4-Alkoxyphenyl)Imidazoles
  作者:Iradyan,M. A.; Torosyan,A. G.; Mirzoyan,R. G.; Aroyan,A. A.
  参考文献:Khimiya Geterotsiklicheskikh Soedinenii 日期:1977 卷标:(10) 页码:1384-8]
  
  96-99-1 = 89-41-8 [标题:Reaction Conditions
  标题:Studies On New Process Of Fast Red Kd Base
  作者:Ma,Ying; Meng,Ming-Yang; Tan,Li-Zhe; Yang,Wen-Dong
  参考文献:Jingxi Yu Zhuanyong Huaxuepin 日期:2003 卷标:11(6) 页码:18-19]
  
  100-09-4 = 89-41-8
  反应条件:1.1 Reagents: Potassium Nitrate
  标题:Nitration Of Some Substituted Aromatic Compounds With Potassium Nitrate In Polyphosphoric Acid
  作者:Iqbal,Rashid; Rama,Nasim Hasan; Haq,Muhammad Zia Ul; Madhwa,Farag Ali
  参考文献:Journal Of The Chemical Society Of Pakistan 日期:1997 卷标:19(2) 页码:141-144]
  
  100-09-4 = 89-41-8
  反应条件:1.1 Reagents: Ammonium Nitrate (Clay-Supported); Rt -> 0 °C1.2 Reagents: Perchloric Acid; 90 Min,60 °C1.3 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized
  标题:Clay Supported Ammonium Nitrate "Clayan". A New Reagent For Selective Nitration Of Arenes
  作者:Meshram,H. M.; Ganesh,Y. S. S.; Madhavi,A. V.; Eshwaraiah,B.; Yadav,J. S.; Et Al
  参考文献:Synthetic Communications 日期:2003 卷标:33(14) 页码:2497-2503]
  
  100-09-4 = 89-41-8
  反应条件:1.1 Reagents: Nitric Acid Solvents: Acetic Anhydride,Water; 0 - 5 °C; 2 H,Rt
  标题:Design,Synthesis,And Biological Evaluation Of 4-Methoxy-3-Arylamido-N-(Substitutedphenyl)Benzamide Derivatives As Potential Antiplatelet Agents
  作者:Liu,Xiujie; Chen,Xin; Qiu,Kai; Zhang,Zhihao
  参考文献:Archiv Der Pharmazie (Weinheim 日期:2020 卷标:353(2)]
  
  830-09-1 = 89-41-8
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid
  标题:3-Nitro- And 3-Amino-4-Methoxycinnamic Acid
  作者:Master,H. E.; Nadkarny,V. V.
  参考文献:Journal Of The Indian Chemical Society 日期:1975 卷标:52(10) 页码:996-7]
  
  108540-67-6 = 89-41-8
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Carboxylation Of Arenes
  作者:Menegheli,Paulo; Rezende,Marcos Caroli; Zucco,Cesar
  参考文献:Synthetic Communications 日期:1987 卷标:17(4) 页码:457-64]
  
  100-09-4 + 45722-57-4 = 89-41-8 [标题:Reaction Conditions
  标题:A New Method For The Nitration Of Aromatic Compounds With A Nitric Acid-Tin(Iv) Chloride Complex,Inducing An Unexpected Transformation Of Anisole
  作者:Einhorn,Jacques; Halut Desportes,Sabine; Demerseman,Pierre; Royer,Rene
  参考文献:Journal Of Chemical Research 日期:1983 卷标:(4) 页码:98-9]
  
  7403-69-2 = 89-41-8
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1)
  标题:Di- And Polysubstituted Derivatives Of Styrene. V. Synthesis Of Some Derivatives Of 4-Methoxystyrene
  作者:Barba,N. A.; Keptanaru,K. F.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1978 卷标:14(5) 页码:1002-4

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
• 💡 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

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