CAS: 97165-77-0; 3,5-Dibromobenzonitrile

该化合物是一种含有分子式C7H3BR2N的溴化芳烃硝化物化合物.其特点是苯硝酸盐环的3和5个位置存在两个溴原子,这加强了其在电益替代和交叉反应中的活性.该化合物通常用作有机合成的中间体,特别是在制备药品,农用化学品和特殊化学品方面.其高纯度和稳定性使它适合于精确的合成应用.电镀硝酸三聚苯组进一步促进了其在核生殖器替代和金属催化变异中的使用,为建造复杂的分子结构提供了多种用途.

英文名称3,5-Dibromobenzonitrile
中文名称3,5-二溴苯甲腈
IUPAC名称3,5-dibromobenzonitrile
其它别名3,5-二溴氰苯; Benzonitrile, 3,5-Dibromo-
CAS编号97165-77-0
MFCD编号:MFCD00178770
EINECS号:806-988-7
分子式:C7H3Br2N
分子量:260.91
产品CID: 2020272
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
产品信息参考;;;;
InChIKey: QUJGDNCWTBTBQD-UHFFFAOYSA-N
InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

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
急性毒性类别3(吸入)
急性毒性类别3(经皮)
急性毒性类别3(经口)
警示词Danger(危险)
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.
H331 |吸入会中毒.
H311 |皮肤接触会中毒.
H301 |吞咽会中毒.
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
UN编号3276
危险品标志Xi
安全声明26-36/37/39-36-23-22-4
危险类别码20/21/22-36/37/38

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

合成目标产物 3,5-Dibromobenzonitrile 主要起始原料 1,3,5-Tribromobenzene
56990-02-4 = 97165-77-0
反应条件:1.1 Reagents: Imidazolium Chloride,Hydroxyamine Hydrochloride Solvents: Sulfolane; 4 H,120 °C
标题:Imidazole Hydrochloride Promoted Synthesis Of Nitriles From Aldehydes
作者:Wang,Yin; Wang,Xuetong; Li,Yanwu; Zhang,Xiuyu; Li,Lingli; Et Al
参考文献:Current Organic Synthesis 日期:2022 卷标:19(8) 页码:923-929]

145691-59-4 = 97165-77-0
反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Ruthenium (Manganese Oxide Nanorod-Supported) Solvents: 2-Methyl-2-Butanol,Water; 5.5 H,0.5 Mpa,100 °C
标题:Atomically Dispersed Ru On Manganese Oxide Catalyst Boosts Oxidative Cyanation
作者:Wang,Hai; Xu,Dongyang; Guan,Erjia; Wang,Liang; Zhang,Jian; Et Al
参考文献:Acs Catalysis 日期:2020 卷标:10(11) 页码:6299-6308]

145691-59-4 = 97165-77-0
反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Cobalt Oxide (Co3O4) (Reaction Product With Vulcan Xc72R And 1,10-Phenanthroline) Solvents: 2-Methyl-2-Butanol,Water; 24 H,5 Bar,130 °C
标题:Green Synthesis Of Nitriles Using Non-Noble Metal Oxides-Based Nanocatalysts
作者:Jagadeesh,Rajenahally V.; Junge,Henrik; Beller,Matthias
参考文献:Nature Communications 日期:2014 卷标:5]

145691-59-4 = 97165-77-0
反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Boron Nitride (Sulfonated) Solvents: Water; 8 H,80 °C
标题:Method For Synthesis Of Nitriles By Ammoxidation Of Aromatic Alcohols Using Metal-Free Sulfonated Boron Nitride As Catalyst
参考文献:India]

= 97165-77-0
反应条件:1.1 Reagents: Sodium Bromide,Hydrogen Peroxide,Hydrogen Bromide
标题:Halogenation Of Benzene Derivatives With Electron-Acceptor Substituents Under Conditions Generating Electrophilic Chlorine And Bromine
作者:Sadiqov,O. A.
参考文献:Kimya Problemlari 日期:2009 卷标:(4) 页码:676-679

3,5-二溴苯甲酰胺置于氯化亚砜体系中,化学反应 18.0H,反应生成 3,5-二溴苄腈
参考文献:Potent Mglur5 Antagonists: Pyridyl And Thiazolyl-Ethynyl-3,5-Disubstituted-Phenyl Series
标题:Potent Mglur5 Antagonists: Pyridyl And Thiazolyl-Ethynyl-3,5-Disubstituted-Phenyl Series
摘要:We Report The Synthesis Of Four Series Of 3,5-Disubstituted-Phenyl Ligands Targeting The Metabotropic Glutamate Receptor Subtype 5: (2-Methylthiazol-4-yl)Ethynyl (1A-J,),(6-Methylpyridin-2-yl)Ethynyl (2A-J),(5-Methylpyridin-2-yl)Ethynyl (3A-J,),And (Pyridin-2-yl)Ethynyl (4A-J,). The Compounds Were Evaluated For Antagonism Of Glutamate-Mediated Mobilization Of Internal Calcium In An Mglur5 In Vitro Assay. All Compounds Were Found To Be Full Antagonists And Exhibited Low Nanomolar To Subnanomolar Activity. (C) 2011 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmcl.2011.04.047

海关参考信息

2902300000-甲苯
2926909090-其他腈基化合物
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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-7754188-B2
优先权日:2003-06-30
标题:Radiolabeled cannabinoid-1 receptor modulators
发明人：BURNS H DONALD; CHEN ALEX M; GIBSON RAYMOND E; GOULET MARK T; HAGMANN WILLIAM K; HAMILL TERENCE G; JEWELL JAMES P; LIN LINUS S; LIU PING; PERESYPKIN ANDREY V
权利人:MERCK SHARP & DOHME
摘要:The present invention relates to particular radiolabeled Cannabinoid-1 (CB1) receptor modulators, and methods of using these modulators for labeling and diagnostic imaging of Cannabinoid-1 receptors in mammals, particularly humans. In addition, intermediates useful for the synthesis of the radiolabeled Cannabinoid-1 receptor modulators are also disclosed, as well as the processes for synthesizing the radiolabeled Cannabinoid-1 receptor modulators. Still further, formulations of the radiolabeled Cannabinoid-1 receptor compounds are described.

专利号:US-8034952-B2
优先权日:2007-11-15
标题 :Supramolecular assemblies and building blocks
发明人：EDDAOUDI MOHAMED; NOUAR FARID; EUBANK JARROD F; WOJTAS LUKASZ; BOUSQUET TILL; ZAWOROTKO MICHAEL
权利人:UNIV SOUTH FLORIDA
摘要:The present invention generally relates to supramolecular assemblies and their modes of synthesis. The supramolecular assemblies include a 1:8 ratio of a supermolecular polyhedral building block and a triangular molecular building block, the supermolecular polyhedral building block having points of extension corresponding to the vertices of a rhombicuboctahedron for linking the supermolecular polyhedral building block to the triangular building block.