CAS: 364-12-5; 5-Bromo-2-Iodobenzotrifluoride

该化合物是一种卤化芳香化合物,含有溴和碘替代成分,以及三氟甲基组,其独特结构使其成为有机合成中有价值的中间体,特别是在交叉反应和制药应用中.多种卤素的存在可增强反应性,使复杂的分子框架中能够精确地发挥作用.

英文名称5-Bromo-2-Iodobenzotrifluoride
中文名称2-碘-5-溴三氟甲苯
IUPAC名称4-bromo-1-iodo-2-(trifluoromethyl)benzene
其它别名2-溴-5-三氟甲苯; Benzene,4-Bromo-1-Iodo-2-(Trifluoromethyl)-
CAS编号364-12-5
MFCD编号:MFCD00672935
EINECS号:672-496-2
分子式:C7H3BrF3I
分子量:350.9
产品CID: 1373442
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: FTIZUXGKTNJZEG-UHFFFAOYSA-N
InChI=1S/C7H3BrF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H…
计算化学: 氢键受体数*氢键供体数0.0可旋转键数0.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 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(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
严重眼刺激类别2A
警示词Warning(警告)
危险描述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.
H332 |吸入有害.
H312 |皮肤接触有害.
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
危险品标志Xi
风险等级Irritant
安全声明26-36/37/39
危险类别码20/21/22-36/37/38

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 5-Bromo-2-Iodobenzotrifluoride 主要起始原料 2-Aminobenzotrifluoride
(文献来源)合成步骤主要原料 2-Aminobenzotrifluoride

邻氨基三氟甲苯置于ammonium Heptamolybdate Sodium Perborate,亚硝酸特丁酯,碘,溶剂黄146,Potassium Bromide体系中,用乙腈作为反应溶剂,化学反应 27.0H,反应生成 5-溴-2-碘三氟甲苯
参考文献:Synthesis And Evaluation As Mri Probe Of The Trifluoromethylated P-Boronophenylalanine And Its Alcohol Derivative
标题:Synthesis And Evaluation As Mri Probe Of The Trifluoromethylated P-Boronophenylalanine And Its Alcohol Derivative
摘要:Boron-Neutron Capture Therapy (Bnct) And Magnetic Resonance Imaging (Mri) Are Quite Attractive Techniques For Treatment And Diagnosis Of Cancer,Respectively. In Order To Develop Practical Tools For Bnct And Mri,Novel Compounds Containing Both The Trifluoromethyl Group And B-10 Atom In A Single Molecule Were Designed. In The Present Study,P-Boronophenylalanine And P-Boronophenylalaninol With The Trifluoromethyl Group Were Synthesized,And F-19 NMR Measurements Of These Compounds Were Carried Out. (C) 2006 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmc.2006.12.043

海关参考信息

2902300000-甲苯
2903399090-其他无环烃卤化衍生物
💡 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

专利号:CN-116813475-A
优先权日:2022-06-29
标题 :A kind of halogenation synthesis method of aromatic ring compounds

专利号:CN-115960074-A
优先权日:2022-05-27
标题 :A class of fluorine-containing ferroelectric liquid crystal molecules containing a heteroatom six-membered alicyclic ring and its synthesis method