CAS: 95668-20-5; 3-Nitro-4-(Trifluoromethoxy)Bromobenzene

该化合物是一种芳香化合物,其特点是有硝基化合物,三氟甲基环和附于苯环的溴原子;硝基化合物(-NO2)是一个强大的电子脱色组,可影响化合物的再活性和极度;三氟甲基环(-O-CF3)组由于氟原子的存在而引入了重要的电子内聚性,从而强化了化合物的脂性,并有可能影响其在有机溶剂中的溶解性;溴原子在核分裂替代反应中是一个良好的离子组,使化合物在各种合成应用中有用;

英文名称3-Nitro-4-(Trifluoromethoxy)Bromobenzene
中文名称4-溴-2-硝基-1-(三氟甲氧基)苯
IUPAC名称4-bromo-2-nitro-1-(trifluoromethoxy)benzene
其它别名1-溴-3-硝基-4-(三氟甲氧基)苯; 5-Bromo-2-Trifluoromethoxynitrobenzene
CAS编号95668-20-5
MFCD编号:MFCD04039243
分子式:C7H3BrF3NO3
分子量:286.0
产品CID: 2010414
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: OIGUXYDXDJIDCY-UHFFFAOYSA-N
InChI=1S/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H…
计算化学: 氢键受体数3.0氢键供体数0可旋转键数2

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi
风险等级Irritant

合成工艺路线路线简述

2822-50-6 = 95668-20-5
反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid,Copper Bromide (Cubr),Hydrogen Bromide Solvents: Water
标题:Preparation Of 4-Bromo- And 4-Chloro-2-Nitro-1-Trifluoromethoxybenzene By Diazotization Of 4-Amino-2-Nitro-1-Trifluoromethoxybenzene With A Metal Nitrite In Sulfuric Acid Followed By Halogenation With A Copper Halide And Hydrogen Halide
参考文献:World Intellectual Property Organization]

2822-50-6 = 95668-20-5
反应条件:1.1 Reagents: Sodium Nitrite,Hydrogen Bromide Catalysts: Copper Bromide (Cubr) Solvents: Water; 50 - 55 °C
标题:A Process For Preparing 4-Bromo-2-Fluoro-1-(Trifluoromethoxy)-Benzene From 4-(Trifluoromethoxy)-Benzenamine
参考文献:China]

= 95668-20-5 [标题:Reaction Conditions
标题:Halogenation-Nitration-Fluorination Of Haloalkylated Aromatic Compounds
参考文献:European Patent Organization]

407-14-7 = 95668-20-5 + 95668-21-6 [标题:Reaction Conditions
标题:Practical,Highly Convergent,Asymmetric Synthesis Of A Selective Pparγ Modulator
作者:Maligres,Peter E.; Humphrey,Guy R.; Marcoux,Jean-Francois; Hillier,Michael C.; Zhao,Dalian; Et Al
参考文献:Organic Process Research & Development 日期:2009 卷标:13(3) 页码:525-534

海关参考信息

2905110000-甲醇
2908199090-其他酚的卤化衍生物
2908999090-其他酚的硝化衍生物
2918290000-其他含酚基羧酸
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-4876376-A
优先权日:1983-06-23
标题 :Process for the halogenation, nitration and fluorination of aromatic derivatives
发明人：DESBOIS MICHAEL; DISDIER CAMILLE
权利人:RHONE POULENC SPEC CHIM
摘要:A process for the halogenation (bromination or chlorination)/nitration/fluorination of aromatic derivatives substituted by at least one group containing a halogenoalkyl unit. The aromatic derivative is reacted with a halogen and a nitrating agent in liquid hydrofluoric acid. The products obtained are useful as intermediates for the synthesis of compounds having a plant-protecting or pharmaceutical activity.