CAS: 321-12-0; 2-Fluoro-5-Methylbenzoic Acid

该化合物是一种芳烃式的碳酸,其特点是存在氟原子和附于苯并硫结构的甲基组,氟原子位于第二个位置,而甲基组位于苯环第五位置.该化合物一般是白色至非白色固体的白色,在有机溶剂中可溶解.该化合物由于碳酸性功能组而表现出酸性,允许其捐赠质子溶解.氟原子的存在可影响化合物的再活动性和极性,有可能增强其参与各种化学反应的能力,包括核分裂性替代和混合反应.此外,2-氟-5-甲基苯并硫酸由于其功能组可以进一步修改,可作为合成药物和农用化学剂的中间体.应参考安全数据,以便处理和储存所有化学物质.

英文名称2-Fluoro-5-Methylbenzoic Acid
中文名称2-氟-5-甲基苯甲酸
IUPAC名称2-fluoro-5-methylbenzoic acid
其它别名6-氟间甲苯甲酸; 6-Fluoro-M-Toluic Acid
CAS编号321-12-0
MFCD编号:MFCD00092819
EINECS号:630-028-4
分子式:C8H7FO2
分子量:154.14
产品CID: 1311170
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: UREMNBHWTNQTMS-UHFFFAOYSA-N
InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
UN编号NONH for all modes of transport
危险品标志Xi: Irritant;
安全声明S26-S36/37/39
危险类别码R36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报

合成工艺路线路线简述

2-氟-5-甲基苯腈置于硫酸体系中,化学反应 0.5H,反应生成2-氟-5-甲基苯甲酸
参考文献:Unsymmetrical Cyclic Ureas As Hiv-1 Protease Inhibitors: Novel Biaryl Indazoles As P2/p2' Substituents
标题:Unsymmetrical Cyclic Ureas As Hiv-1 Protease Inhibitors: Novel Biaryl Indazoles As P2/p2' Substituents
摘要:The Preparation Of Unsymmetrical Cyclic Ureas Bearing Novel Biaryl Indazoles As P2/p2' Substituents Was Undertaken,Utilizing A Suzuki Coupling Reaction As The Key Step. Compound 6I Was Equipotent To The Lead Compound Of The Series Se063. (C) 1999 Dupont Pharmaceuticals Company. Published By Elsevier Science Ltd. All Rights Reserved.
Doi:10.1016/s0960-894X(99)00564-8

海关参考信息

2905110000-甲醇
2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
💡 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:US-8410028-B2
优先权日:2003-12-17
标题:Methods for synthesis of encoded libraries
发明人：MORGAN BARRY; HALE STEPHEN; ARICO-MUENDEL CHRISTOPHER C; CLARK MATTHEW; WAGNER RICHARD; ISRAEL DAVID I; GEFTER MALCOLM L; BENJAMIN DENNIS; HANSEN NILS JAKOB VEST; KAVARANA MALCOLM J; CREASER STEFFAN PHILLIP; FRANKLIN GEORGE J; CENTRELLA PAOLO A; ACHARYA RAKSHA A
权利人:MORGAN BARRY; HALE STEPHEN; ARICO-MUENDEL CHRISTOPHER C; CLARK MATTHEW; WAGNER RICHARD; ISRAEL DAVID I; GEFTER MALCOLM L; BENJAMIN DENNIS; HANSEN NILS JAKOB VEST; KAVARANA MALCOLM J; CREASER STEFFAN PHILLIP; FRANKLIN GEORGE J; CENTRELLA PAOLO A; ACHARYA RAKSHA A; GLAXOSMITHKLINE LLC
摘要:The present invention provides a method of synthesizing libraries of molecules which include an encoding oligonucleotide tag.

专利号:US-9217012-B2
优先权日:2009-04-08
标题 :Inhibitors of protein tyrosine phosphatases
发明人：ZHANG ZHONG-YIN; ZHANG SHENG
权利人:ZHANG ZHONG-YIN; ZHANG SHENG; UNIV INDIANA RES & TECH CORP
摘要:Disclosed herein are compounds that selectively inhibit members of the PTP family of enzymes. Synthesized compounds demonstrated selective inhibition of TC-PTP. Also provided are methods of using the compounds and formulations containing the compounds. Also described is a fluorescence-tagged combinatorial library synthesis and screening method. And methods of using these compounds to effect enzyme activity both in cells and in vitro as well as method of using these compounds to treat diseases in human and animals.

专利号:US-2011251089-A1
优先权日:2003-12-17
标题:Methods for synthesis of encoded libraries

专利号:CN-108033964-A
优先权日:2017-12-28
标题:A kind of pyridyl imidazobenzodiazepine propionate compound and its synthesis and application