CAS: 94022-95-4; 1-(2-Bromoethyl)-2-(Trifluoromethyl)Benzene

该化合物是具有芳香结构的有机化合物,包括一个以溴乙基组和三氟甲基组取代的苯环,溴乙基组的存在引入了卤素,可增强反应性并影响化合物的物理特性,如沸点和熔点;三氟甲基组因其电阻作用而闻名,可严重影响化合物的再活动性和稳定性;该组可能无色至黄色的液体或固体,视其具体形式和纯度而定;由于存在极三氟甲基组,该化合物可能呈现中度至高度的极性;此外,它可能被用于各种化学合成物或作为生产药品和农用化学品的一种中间体;在处理该化合物时,应采取安全防范措施,因为其可能因溴和氟化物的原子的存在而构成健康风险.

英文名称1-(2-Bromoethyl)-2-(Trifluoromethyl)Benzene
中文名称1-(2-溴乙基)-2-(三氟甲基)苯
IUPAC名称1-(2-bromoethyl)-2-(trifluoromethyl)benzene
其它别名2-(三氟甲基)苯乙基溴; 2-(Trifluoromethyl)Phenethyl Bromide
CAS编号94022-95-4
MFCD编号:MFCD10567021
EINECS号:301-590-5
FDA UNII编号:H42AYQ2XFZ
分子式:C9H8BrF3分子量:253.06
产品CID: 1985706
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: QECZMYGJNDGESU-UHFFFAOYSA-N
InChI=1S/C9H8BrF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2
计算化学: 氢键受体数*氢键供体数*可旋转键数2.0

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)
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)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
水生慢性毒性类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H302 |吞咽有害.
H319 |造成严重眼刺激.
H332 |吸入有害.
H312 |皮肤接触有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H412 |对水生生物有害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
UN编号UN 3082 9/PG 3
危险品标志Xn,N
安全声明26-61
危险类别码22-36-51/53
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

CAS号94022-96-5 2-三氟甲基苯乙醇

合成工艺路线路线简述

94022-96-5 = 94022-95-4
反应条件:1.1 Reagents: Carbon Tetrabromide,1,3-Bis(Diphenylphosphino)Propane Solvents: Dichloromethane; 0 °C; Overnight,Rt
标题:Indole Derivatives As Inhibitors Of Cytosolic Phospholipase A2 And Their Preparation,Pharmaceutical Compositions,And Use In The Prevention And Treatment Of Various Diseases
参考文献:World Intellectual Property Organization]

= 94022-95-4 [标题:Reaction Conditions
标题:Rapid Discovery Of Highly Potent And Selective Inhibitors Of Histone Deacetylase 8 Using Click Chemistry To Generate Candidate Libraries
作者:Suzuki,Takayoshi; Ota,Yosuke; Ri,Masaki; Bando,Masashige; Gotoh,Aogu; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(22) 页码:9562-9575]

= 94022-95-4 [标题:Reaction Conditions
标题:New Prenylamine-Analogs: Investigations Of Their Influence On Calcium-Dependent Biological Systems
作者:Caldirola,P.; Zandberg,P.; Mannhold,R.; Timmerman,H.
参考文献:European Journal Of Medicinal Chemistry 日期:1993 卷标:28(7-8) 页码:555-68]

= 94022-95-4 [标题:Reaction Conditions
标题:Preparation Of N-(Benzhydrylthioalkyl)Benzenealkanamines And Analogs As Calmodulin Inhibitors
参考文献:European Patent Organization

📜2-(三氟甲基)苯乙醇置于硫酸,氢溴酸体系中,化学反应生成邻三氟甲基苯乙基溴
参考文献:New Prenylamine-Analogues: Investigations Of Their Influence On Calcium-Dependent Biological Systems
标题:New Prenylamine-Analogues: Investigations Of Their Influence On Calcium-Dependent Biological Systems
摘要:Chemically,Prenylamine Belongs To The Diphenylalkylamine Class. Compounds Of This Class Are Calcium Antagonists With A Broad Spectrum Of Activities Due To Their Influence On Both Extracellular And Intracellular Sites. In The Present Study The Calcium Antagonistic Profile Of A Recently Developed New Series Of Prenylamine Analogues Has Been Investigated Using Different In Vitro Systems. The Inhibiting Concentrations For The Most Active Compound Are Almost-Equal-To 1.5 Mum; Several Derivatives Are Inactive Up To A Concentration Of 10 Mum. Structural Modifications Towards An Increase Of Lipophilicity Make These Molecules Interact (Inhibition) With The Intracellular Calcium-Binding Protein Calmodulin; For The Series No Correlation Between Calcium-Blocking And Calmodulin Antagonistic Effects Has Been Found.
DOI:10.1016/0223-5234(93)90086-T