CAS: 70362-50-4; 3,4,4',5-Tetrachloro-1,1'-Biphenyl

该化合物是多氯联苯(PCB)家族的成员,该家族由碳,氢和氯原子组成的合成有机化学品组成.PCB 81的特点是其双苯结构,在双苯环的特定位置替换氯原子.该化合物以其疏水性为名,使其在环境中具有持久性,并能够在活生物体中产生生物累积性.多氯联苯,包括PCB 81,一般没有颜色,可轻黄色固体或油,并且不易燃.它们具有热稳定性和降解性,从而助长其环境持久性.PCB 81已经研究过其潜在的毒理学影响,包括内分泌干扰和...

英文名称3,4,4',5-Tetrachloro-1,1'-Biphenyl
中文名称3,4,4',5-四氯-1,1'-联苯
IUPAC名称1,2,3-trichloro-5-(4-chlorophenyl)benzene
其它别名3,4,4',5- 四氯联苯异辛烷溶液; 3,4,4',5-Tetrachlorobiphenyl
CAS编号70362-50-4
MFCD编号:MFCD00152855
EINECS号:690-324-4
FDA UNII编号:7R8ZU2864J
分子式:C12H6Cl4分子量:291.99
产品CID: 1697640
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: BHWVLZJTVIYLIV-UHFFFAOYSA-N
InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
计算化学: 氢键受体数*氢键供体数0.0可旋转键数1.0

物理性质

熔点106.53 °C
沸点374.95 °C at 760 mmHg
闪点187.7 °C
密度1.441g/cm3
LogP:5.9672
折射率1.612
溶解性Chloroform (Sparingly), Methanol (Slightly)
外观形态白色至类白色固体
储存条件-20°C 冰箱, 在惰性气其中

MSDS等安全信息

GHS象形图
GHS符号GHS08 & GHS09;
注释: Health hazard & Environment
危险类别特定目标器官毒性-重复接触类别2
水生急性毒性类别1
水生慢性毒性类别1
警示词Warning(警告)
危险描述H373 |长期或反复接触可能损害器官.
H400 |对水生生物毒性极大.
H410 |对水生生物毒性极大并具有长期持续影响.
防范说明P260-P273-P391-P501
安全声明The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66)

欧盟法规

C&L通报

上下游产品

chlorobenzene 3,4,5-trichloroaniline 3,5,4'-trichloro-biphenyl-4-ylamine 4-bromo-2,6-dichloroaniline

合成工艺路线路线简述

📜4-溴-2,6-二氯苯胺置于四(三苯基膦)钯硫酸,Sodium Carbonate,Sodium Nitrite体系中,用乙醇,甲苯作为反应溶剂,化学反应 14.0H,反应生成 3,4,4',5-四氯联苯
参考文献:Synthesis Of Polychlorinated Biphenyls (Pcbs) Using The Suzuki-Coupling
标题:Synthesis Of Polychlorinated Biphenyls (Pcbs) Using The Suzuki-Coupling
摘要:An Improved Synthesis Of Polychlorinated Biphenyls (Pcbs) Utilizing A Palladium-Catalyzed Cross-Coupling Reaction (Suzuki-Coupling) Is Described. The Coupling Of (Chlorinated) Aryl Boronic Acids 1-3 With Bromochlorobenzenes 4 Using The Standard Conditions Of The Suzuki-Coupling Gave The Desired Pcb Congeners 5-7 In Good To Excellent Yields. The Self-Coupling Product Of The Aryl Boronic Acids Is The Major Impurity Of This Reaction. 3,4,5-Trichlorophenyl Derivatives Such As 10 Can Be Synthesized By Coupling Of An Aryl Boronic Acid With The Corresponding Bromochloroaniline 8. The Approach Offers The Advantage Of High Selectivity And Good Yields Compared To Conventional Methods Such As The Cadogan Reaction And Allows The Use Of Less Toxic Starting Materials. (C) 2001 Elsevier Science Ltd. All Rights Reserved.
DOI:10.1016/s0045-6535(00)00546-4