CAS: 82702-31-6; Methyl 3-Bromo-4-Fluorobenzoate

该化合物是一种有机化合物,其特点是芳香结构,包括一个以溴和氟原子替代的苯环,以及一个甲氧碳基(酯功能组),该化合物一般无色可粉黄黄色液体或固态,取决于其纯度和温度,因其中度极性而闻名,因为它的存在会影响其在不同有机溶剂中的溶解性.甲基三溴-4-氟苯并酸酯经常用于有机合成,特别是用于制药和农用化学品开发,因为其具有再活动性和进行各种化学变异的能力.卤素分成分的存在可提高其电子生物特性,使其成为进一步化学反应中有价值的中间体.在处理该化合物时,应注意安全防范,因为如果吸入或浸入,可能会对健康造成危害,因此应保持适当的储存条件,以确保稳定性.

英文名称Methyl 3-Bromo-4-Fluorobenzoate
中文名称3-溴-4-氟苯甲酸甲酯
IUPAC名称methyl 3-bromo-4-fluorobenzoate
其它别名3-BROMO-4-FLUORO-BENZOIC ACID METHYL ESTER; METHYL 3-BROMO-4-FLUOROBENZOATE; Methyl 3-bromo-4-fluorobenzoate ; Methyl3-bromo-4-fluorobenzoate
CAS编号82702-31-6
MFCD编号:MFCD04972915
EINECS号:617-378-3
分子式:C8H6BrFO2
分子量:233.03
产品CID: 1817146
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: JVORYGNKYAXATM-UHFFFAOYSA-N
InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3…
计算化学: 氢键受体数2.0氢键供体数0.0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2A
严重眼刺激类别2
警示词Warning(警告)
危险描述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
危险品标志Xi,Xn
风险等级Irritant/Keep cold
危险类别码22

欧盟法规

C&L通报REACH预注册

上下游产品

3-bromo-4-fluorobenzoic acid methyl 4-flurobenzoate 3-bromo-4-fluoro-benzoic acid fluoride methanol methyl 3-allyl-4-fluorobenzoate methyl 4-fluoro-3-(4-hydroxypiperidin-1-yl)benzoate methyl 3-(4-aminopiperidin-1-yl)-4-fluorobenzoate methyl 3-(4-azidopiperidin-1-yl)-4-fluorobenzoate

合成工艺路线路线简述

1007-16-5 = 82702-31-6
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; 36 H,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
标题:Synthesis And Biological Activity Of Imidazopyridine Anticoccidial Agents: Part I
作者:Scribner,Andrew; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2007 卷标:42(11-12) 页码:1334-1357]

456-22-4 = 82702-31-6
反应条件:1.1 Reagents: Potassium Bromate Solvents: Water; Rt -> 80 °C1.2 Reagents: Sulfuric Acid Solvents: Water; 3 H,80 °C; 2 H,90 - 100 °C2.1 Catalysts: Sulfuric Acid; 4 H,Reflux
标题:Syntheses And Evaluation Of Anti-Inflammatory,Analgesic And Ulcerogenic Activities Of 1,3,4-Oxadiazole And 1,2,4-Triazolo[3,4-B]-1,3,4-Thiadiazole Derivatives
作者:Chawla,Gita; Et Al
参考文献:Journal Of Enzyme Inhibition And Medicinal Chemistry 日期:2012 卷标:27(5) 页码:658-665

3-溴-4-氟苯甲酸置于硫酸体系中,用甲醇,乙醚作为反应溶剂,化学反应生成 3-溴-4-氟苯甲酸甲酯
参考文献:M-Substituted Benzoic Acid Derivatives Exhibiting Integrin Alpha-V Beta-3 Antagonism
标题:M-Substituted Benzoic Acid Derivatives Exhibiting Integrin Alpha-V Beta-3 Antagonism
摘要:本发明的目的是提供具有整合素αvβ3拮抗活性的m-取代苯甲酸衍生物.根据本发明的衍生物是由式(I)表示的化合物或其药学上可接受的盐或溶剂,可用于治疗或预防心血管疾病,血管反应生成相关疾病,脑血管疾病,癌症及其转移,免疫性疾病,骨病和其他疾病:其中a代表含有两个氮原子的可选择取代的杂环基团,双环基团或类似物;d代表键,>Nr4,>Cr5R6,O,S或-Nr4-Cr5R6-;x代表ch或n;r7和r8代表羟基,烷基或类似物;q代表>C=o或类似物;r9代表氢,烷基或类似物;j代表键或烷基;r10代表可选择取代的羟基,氨基或类似物;r11代表氢,烷基或类似物;m为0至5;n为0至4;p和q各自为0至3.

海关参考信息

2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
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:US-2007275968-A1
优先权日:2004-09-07
标题 :Substituted Biphenyl Derivative
发明人：KURATA HITOSHI; NISHIMATA TOYOKI; WATANABE YUKIKO; EBISAWA MASAYUKI; FUJIMOTO TEPPEI; KOBAYASHI HIDEKI
权利人:KURATA HITOSHI; NISHIMATA TOYOKI; WATANABE YUKIKO; EBISAWA MASAYUKI; FUJIMOTO TEPPEI; KOBAYASHI HIDEKI
摘要:The present invention relates to a biaryl derivative or a pharmacologically acceptable salt thereof having an excellent collagen-synthesis inhibition activity. A biaryl derivative having a structure represented by the following General Formula (I) or a pharmacologically acceptable salt thereof: n nwherein n R 1 represents a C 6 -C 10 aryl group which is substituted with one to three group(s) each independently selected from the group consisting of a group defined by formula R-L-, a di-(C 1 -C 6 alkyl)amino group, a di-(C 1 -C 6 alkyl)aminosulfonyl group, a hydroxyaminocarbonyl group, and a halogen atom, and so on; R represents a C 1 -C 6 alkyl group, and so on; L represents a sulfonyl group, an aminosulfonyl group, or a sulfonylamino group, and so on; R 2 represents a hydrogen atom, and so on; A represents a group defined by formula (II), (III), or (IV); R 3 represents a C 1 -C 6 alkyl group, and so on; and R 4 represents a C 1 -C 6 alkyl group, and so on.

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