CAS: 88-30-2; 4-Nitro-3-(Trifluoromethyl)Phenol

• 英文名称4-Nitro-3-(Trifluoromethyl)Phenol
• 中文名称4-硝基-3-(三氟甲基)苯酚
• IUPAC名称4-nitro-3-(trifluoromethyl)phenol
• 其它别名5-羟基-2-硝基三氟甲苯; 3-(Trifluoromethyl)-4-Nitrophenol; Tfm
• CAS编号88-30-2
• MFCD编号:MFCD00014714
• EINECS号:201-818-2
• FDA UNII编号:96W52A3IFS
• 分子式:C7H4F3NO3
• 分子量:207.11
• 产品CID: 1892708
• 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: ZEFMBAFMCSYJOO-UHFFFAOYSA-N
• InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点76-79°C
• 沸点135-138°C at 760 mmHg
• 闪点135-138°C
• 密度1.6±0.1 g/cm3
• pKa:6.07(at 25°C)
• PSA:63.37
• LogP:2.3192
• 折射率1.507
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Soluble In Methanol
• 外观形态黄色结晶粉末
• 储存条件-20°C
• 产品应用该化合物用于作为PAR4抑制剂制备双环乙烯代谢化合物.

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4(吸入)
  急性毒性 类别4(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
  急性毒性 类别4(经口)
  急性毒性 类别3(经皮)
  皮肤腐蚀 类别1C
  严重眼损伤 类别1
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Danger(危险)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  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.
  H302 |吞咽有害.
  H311 |皮肤接触会中毒.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级6.1(b)
• UN编号2588
• 危险品标志Xn,Xi
• 风险等级Irritant
• 包装等级III
• 安全声明26-28-36/37/39-45
• 危险类别码20/21/22-36/37/38
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 98-17-9 = 88-30-2
  反应条件:1.1 Reagents: Cupric Nitrate Solvents: Tetrahydrofuran; 2 H,Reflux
  标题:A Practical Approach For Regioselective Mono-Nitration Of Phenols Under Mild Conditions
  作者:Chen,Ling-Yan; Et Al
  参考文献:Arkivoc (Gainesville 日期:2014 卷标:(5) 页码:64-71]
  
  2220182-66-9 = 88-30-2
  反应条件:1.1 Reagents: Sodium Diethyldithiocarbamate,Oxygen; 60 Min
  标题:Selective Light-Driven Chemoenzymatic Trifluoromethylation/hydroxylation Of Substituted Arenes
  作者:Sosa,Victor; Et Al
  参考文献:Acs Catalysis 日期:2018 卷标:8(3) 页码:2225-2229]
  
  384-22-5 = 88-30-2 + 386-72-1
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Potassium Tert-Butoxide Solvents: Ammonia
  标题:Hydroxylation Of Nitroarenes With Alkyl Hydroperoxide Anions Via Vicarious Nucleophilic Substitution Of Hydrogen
  作者:Makosza,Mieczyslaw; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(13) 页码:4199-4208]
  
  = 88-30-2 + 625-50-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 20 Min,Rt; 2.5 H,Rt1.2 Reagents: Hydrogen Ion Solvents: Water; Ph 2,Rt2.1 Solvents: Ethanol; Rt; 4 H,Rt2.2 Reagents: Methanesulfonic Acid,Sodium Cyanoborohydride Solvents: Methanol; 15 H,Ph 3,Rt3.1 Solvents: Tert-Butanol,Water; 18 H,Ph 7.4,65 °C
  标题:Chemoselective Amide Formation Using O-(4-Nitrophenyl)Hydroxylamines And Pyruvic Acid Derivatives
  作者:Kumar,Sonali; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(23) 页码:10835-10845]
  
  98-17-9 = 88-30-2
  反应条件:1.1 Reagents: Nitric Acid Solvents: Acetic Acid,Water; 30 Min,20 °C1.2 Reagents: Dichloromethane,Water
  标题:Design,Synthesis,Insecticidal Activity And Structure-Activity Relationship Of 3,3-Dichloro-2-Propenyloxy-Containing Phthalic Acid Diamide Structures
  作者:Feng,Mei-Li; Et Al
  参考文献:Pest Management Science 日期:2012 卷标:68(7) 页码:986-994]
  
  49562-76-7 = 88-30-2
  反应条件:1.1 Reagents: Pyridine N-Oxide Catalysts: Tris(2,2′-Bipyridine)Ruthenium(2+) Bis(Hexafluorophosphate) Solvents: Acetonitrile1.2 Reagents: Sodium Bicarbonate Solvents: Water1.3 Reagents: Sodium Diethyldithiocarbamate,Oxygen; 60 Min
  标题:Selective Light-Driven Chemoenzymatic Trifluoromethylation/hydroxylation Of Substituted Arenes
  作者:Sosa,Victor; Et Al
  参考文献:Acs Catalysis 日期:2018 卷标:8(3) 页码:2225-2229]
  
  127-17-3 = 88-30-2 + 625-50-3
  反应条件:1.1 Solvents: Tert-Butanol,Water; 18 H,Ph 7.4,65 °C
  标题:Chemoselective Amide Formation Using O-(4-Nitrophenyl)Hydroxylamines And Pyruvic Acid Derivatives
  作者:Kumar,Sonali; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(23) 页码:10835-10845]
  
  122-78-1 + 94832-20-9 = 88-30-2 + 625-50-3
  反应条件:1.1 Solvents: Ethanol; Rt; 4 H,Rt1.2 Reagents: Methanesulfonic Acid,Sodium Cyanoborohydride Solvents: Methanol; 15 H,Ph 3,Rt2.1 Solvents: Tert-Butanol,Water; 18 H,Ph 7.4,65 °C
  标题:Chemoselective Amide Formation Using O-(4-Nitrophenyl)Hydroxylamines And Pyruvic Acid Derivatives
  作者:Kumar,Sonali; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(23) 页码:10835-10845]
  
  118-83-2 + 10576-12-2 = 88-30-2 + 625-50-3
  反应条件:1.1 Solvents: Dimethylformamide; Rt; Rt -> 30 °C1.2 Reagents: Sodium Hydroxide; 30 °C; 1.5 H2.1 Reagents: Hydrochloric Acid Solvents: Water; 20 Min,Rt; 2.5 H,Rt2.2 Reagents: Hydrogen Ion Solvents: Water; Ph 2,Rt3.1 Solvents: Ethanol; Rt; 4 H,Rt3.2 Reagents: Methanesulfonic Acid,Sodium Cyanoborohydride Solvents: Methanol; 15 H,Ph 3,Rt4.1 Solvents: Tert-Butanol,Water; 18 H,Ph 7.4,65 °C
  标题:Chemoselective Amide Formation Using O-(4-Nitrophenyl)Hydroxylamines And Pyruvic Acid Derivatives
  作者:Kumar,Sonali; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(23) 页码:10835-10845

海关参考信息

• 2902300000-甲苯
  2903399090-其他无环烃卤化衍生物
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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

专利信息

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• ➥ 防范代码详解
• ➥ 危险代码说明
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