CAS: 209991-63-9; 2,4,6-Trifluorophenylacetic Acid

该化合物是一种芳烃式的碳酸,其特点是在苯环的2,4和6个位置上存在三氟甲基组,以及乙酸功能组,该化合物因其强大的电阴性氟化原子而显著,从而对其化学反应和物理特性产生显著影响,例如与非氟类相比酸性增加,例如与非氟类比相比酸性增加;三氟苯基会增强亲脂性,使其在药物应用中可能有用;它一般是一种在室温中的固体,可能表现出有机溶剂中的中溶性;由于存在氨基酸组,氢可以结合,从而影响其在生物系统中的相互作用;此外,2,4,6-三氟苯乙酸可以作为有机合成的构件,特别是在发展农业化学品和药物方面;在处理和储存时,应参考安全数据,因为氟化合物可能构成具体的环境和健康风险.

英文名称2,4,6-Trifluorophenylacetic Acid
中文名称2,4,6-三氟苯乙酸
IUPAC名称2-(2,4,6-trifluorophenyl)acetic acid
其它别名2,4,6-三氟苯基乙酸; 2,4,6-Trifluorophenylacetic Acid; (2,4,6-Trifluorophenyl)Acetic Acid
CAS编号209991-63-9
MFCD编号:MFCD00061218
EINECS号:642-863-1
分子式:C8H5F3O2
分子量:190.12
产品CID: 1086072
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: NGEKZFHYZPHNKQ-UHFFFAOYSA-N
InChI=1S/C8H5F3O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)…
计算化学: 氢键受体数1.0氢键供体数1可旋转键数2

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(吸入)
急性毒性类别4(经皮)
急性毒性类别4(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
严重眼刺激类别2A
警示词Warning(警告)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
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.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级IRRITANT
危险品标志Xi,T+
WGK Germany3

欧盟法规

C&L通报

上下游产品

diethyl (2,4,6-trifluoro-phenyl)-malonate 1,3,5-trifluorobenzene 2,4,6-trifluorobromobenzene 2-(benzylthio)-6-(2-bromo-6-(2-(2,4,6-trifluorophenyl)acetamido)benzamido)-N-methylbenzamide 2-(benzylthio)-6-(2-bromo-6-(2-(4-methoxyphenyl)acetamido)benzamido)-N-methylbenzamide 8-hydroxy-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-6(5H)-one

合成工艺路线路线简述

1-溴-2,4,6-三氟苯置于盐酸,Sodium Ethanolate,Copper(I) Bromide体系中,化学反应生成2,4,6-三氟苯乙酸
参考文献:A New Knoevenagel-Type Synthesis Of Fully Substituted γ-Hydroxybutenolides
标题:A New Knoevenagel-Type Synthesis Of Fully Substituted γ-Hydroxybutenolides
摘要:The Synthesis Of Fully Substituted Gamma-Hydroxybutenolides Is Possible By A Knoevenagel-Type Ring Condensation Of Alpha-Methyleneketones And Alpha-Ketoesters Under Basic Conditions. This Novel Transformation Allowed The Preparation Of Di-Aryl/heteroaryl Substituted Hydroxyfuranones,Such As 20 And 27,Which Are Important Intermediates For Pyridazine Fungicides. As It Turned Out,A Whole Range Of Different Substituents,Such As Alkyl,Cycloalkyl,Aryl,Heteroaryl And Ester Groups Could Be Linked To The Butenolide Scaffold,Demonstrating The Broad Scope Of The Novel Cyclization. (C) 2012 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Tetlet.2012.05.125

海关参考信息

2902600000-乙苯
2912110000-甲醛
2912120000-乙醛
2915110000-甲酸
💡 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:EA-002100-B1
优先权日:1996-12-23
标题:CYCLOALCYL COMPOUNDS, LACTAMS, LACTONES AND RELATED COMPOUNDS CONTAINING THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS OF INHIBITING THE SURVIVAL AND / OR SYNTHESIS OF Î²-AMYLOUS PEPTIDE SOFTWARE AGREED SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE, SOFTWARE AND SOFTWORK

专利号:EP-3590340-B1
优先权日:2010-09-01
标题:Intermediates for the synthesis of fungicidal pyrazoles

专利号:ES-2971524-T3
优先权日:2010-09-01
标题 :Intermediates for the synthesis of fungicide pyrazoles

专利号:CN-117384029-B
优先权日:2023-12-12
标题 :A kind of synthesis method of 2,4,5-trifluorophenylacetic acid

专利号:TW-568914-B
优先权日:1996-12-23
标题 :Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds

专利号:CN-116730795-B
优先权日:2023-08-11
标题 :A kind of synthesis method of trifluorophenyl acetic acid intermediate 1,2,4-trifluorobenzene