CAS: 90259-31-7; 2-Bromo-6-Methylbenzoic Acid

该化合物是一种芳烃色盒酸,其特点是存在溴原子和苯甲酸框架的甲基组,溴替代成分位于第二个位置,而甲基组位于苯环的第六位置,有助于其独特的回活动性和特性.该化合物一般是白色至非白色固体的白色,在水中溶解,但在乙醇和丙酮等有机溶剂中更加溶解.由于氨基酸功能组而表现出酸性,允许其参与各种化学反应,包括酯化和核生殖替代.溴原子的存在也可增强其在电子哲学芳香替代反应中的再活性.2-Bromo-6-甲基苯甲酸用于有机合成,并可作为生产药品,农用化学品和其他精密化学品的一种中间体.在处理这一化合物时,应当注意安全防范,因为它可能构成健康风险.

英文名称2-Bromo-6-Methylbenzoic Acid
中文名称2-溴-6-甲基苯甲酸
IUPAC名称2-bromo-6-methylbenzoic acid
其它别名6-溴邻甲苯酸; 6-Bromo-O-Toluic Acid
CAS编号90259-31-7
MFCD编号:MFCD01310788
EINECS号:626-749-9
分子式:C8H7BrO2
分子量:215.04
产品CID: 1934642
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: ICXBPDJQFPIBSS-UHFFFAOYSA-N
InChI=1S/C8H7BrO2/c1-5-3-2-4-6(9)7(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可旋转键数1

物理性质

熔点108-112°C
沸点307.1°C at 760 mmHg
闪点141.3±24.6°C
密度1.6±0.1 g/cm3
pKa:2.56±0.31(预测)
PSA:37.3
LogP:2.45572
折射率1.595
蒸汽压0.0±0.7 mmHg at 25°C
溶解性Soluble In Methanol
敏感性按规定使用和贮存的不会分解，避氧化物
外观形态白色至淡黄色粉末至晶体
储存条件密封, 常温干燥保存
产品应用该化合物用于学术研究中有机化合物的构件.产品应储存在远离热源或点火源的冷干燥地方.

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别3(经口)
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Danger(危险)
危险描述H301 |吞咽会中毒.
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P264-P270-P330-P405-P501
危险等级6.1
UN编号2811.0
危险品标志Xn,Xi
包装等级Ⅲ
安全声明26-36/37/39-37
危险类别码22-36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

4389-50-8 = 90259-31-7
反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; Rt; Cooled1.2 Reagents: Sodium Nitrite Solvents: Water; Cooled; 2.5 - 3 H,0 °C1.3 Reagents: Copper Bromide (Cubr),Hydrogen Bromide Solvents: Water; Rt; 2.5 - 3 H,65 °C
标题:Zn-Catalyzed Enantio- And Diastereoselective Formal [4 + 2] Cycloaddition Involving Two Electron-Deficient Partners: Asymmetric Synthesis Of Piperidines From 1-Azadienes And Nitro-Alkenes
作者:Chu,John C. K.; Dalton,Derek M.; Rovis,Tomislav
参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(13) 页码:4445-4452]

501085-07-0 = 90259-31-7
反应条件:1.1 Reagents: Methyl Iodide; 15 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Methanol; 15 H,Reflux
标题:N-Aroyl-L-Phenylalanine Derivatives As Vcam/vla-4 Antagonists
作者:Sidduri,Achyutharao; Tilley,Jefferson W.; Lou,Jian Ping; Chen,Li; Kaplan,Gerry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2002 卷标:12(17) 页码:2479-2482

2-溴-6-甲基苯甲酸甲酯置于sodium Hydroxide体系中,化学反应生成 2-溴-6-甲基苯甲酸
参考文献:Peltier,Comptes Rendus Hebdomadaires Des Seances De L'Academie Des Sciences,1954,Vol. 238,P. 357,358
标题:Peltier,Comptes Rendus Hebdomadaires Des Seances De L'Academie Des Sciences,1954,Vol. 238,P. 357,358

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-6090912-A
优先权日:1993-05-27
标题:Topologically segregated, encoded solid phase libraries comprising linkers having an enzymatically susceptible bond
发明人：LEBL MICHAL; LAM KIT S; SALMON SYDNEY E; KRCHNAK VICTOR; SEPETOV NIKOLAI; KOCIS PETER
权利人:SELECTIDE CORP
摘要:The invention relates to libraries of synthetic test compound attached to separate phase synthesis supports. In particular, the invention relates to libraries of synthetic test compound attached to separate phase synthesis supports that also contain coding molecules that encode the structure of the synthetic test compound. The molecules may be polymers or multiple nonpolymeric molecules. Each of the solid phase synthesis support beads contains a single type of synthetic test compound. The synthetic test compound can have backbone structures with linkages such as amide, urea, carbamate (i.e., urethane), ester, amino, sulfide, disulfide, or carbon-carbon, such as alkane and alkene, or any combination thereof. Examples of subunits suited for the different linkage chemistries are provided. The synthetic test compound can also be molecular scaffolds, such as derivatives of monocyclic of bicyclic carbohydrates, steroids, sugars, heterocyclic structures, polyaromatic structures, or other structures capable of acting as a scaffolding. Examples of suitable molecular scaffolds are provided. The invention also relates to methods of synthesizing such libraries and the use of such libraries to identify and characterize molecules of interest from among the library of synthetic test compound.

专利号:US-5840485-A
优先权日:1993-05-27
标题 :Topologically segregated, encoded solid phase libraries
发明人：LEBL MICHAL; LAM KIT S; SALMON SYDNEY E; KRCHNAK VICTOR; SEPETOV NIKOLAI; KOCIS PETER
权利人:SELECTIDE CORP
摘要:The invention relates to libraries of synthetic test compound attached to separate phase synthesis supports that also contain coding molecules that encode the structure of the synthetic test compound. The molecules may be polymers or multiple nonpolymeric molecules. The synthetic test compound can have backbone structures with linkages such as amide, urea, carbamate (i.e., urethane), ester, amino, sulfide, disulfide, or carbon-carbon, such as alkane and alkene, or any combination thereof. Examples of subunits suited for the different linkage chemistries are provided. The synthetic test compound can also be molecular scaffolds, such as derivatives of monocyclic of bicyclic carbohydrates, steroids, sugars, heterocyclic structures, polyaromatic structures, or other structures capable of acting as a scaffolding. Examples of suitable molecular scaffolds are provided. The invention also relates to methods of synthesizing such libraries and the use of such libraries to identify and characterize molecules of interest from among the library of synthetic test compound.

专利号:US-2007161648-A1
优先权日:2005-10-14
标题 :Substituted dihydro-isoindolones useful in treating kinase disorders
发明人：HUGHES TERRY V; EMANUEL STUART L; RUGG CATHERINE A; CONNOLLY PETER J
权利人:HUGHES TERRY V; EMANUEL STUART L; RUGG CATHERINE A; CONNOLLY PETER J
摘要:The present invention is directed to novel substituted dihydro-isoindolone compounds of formula (I): n n nand forms thereof, wherein Ring A, X 3 , R 1 , R 2 , R 3 , R 4 and R 6 are as herein defined, and their synthesis and use as protein kinase inhibitors and interactions thereof.

专利号:US-7825149-B2
优先权日:2006-01-19
标题 :Substituted imidazoles
发明人：CHUBB NATHAN ANTHONY LOGAN; COX MARK ROGER; DAUVERGNE JEROME SEBASTIEN; EWIN RICHARD ANDREW; LAURET CHRISTELLE
权利人:PFIZER LTD
摘要:This invention relates to a range of alpha substituted 2-benzyl substituted imidazole compounds and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes for their synthesis and their use as parasiticides.