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1,1'-氧基二(2,4-二氯苯) | 28076-73-5

中文名称
1,1'-氧基二(2,4-二氯苯)
中文别名
——
英文名称
2,2',4,4'-tetrachlorodiphenylether
英文别名
Bis(2,4-dichlorophenyl)ether;2,2',4,4'-Tetrachlorobiphenyl ether;2,2',4,4'-tetrachlorodiphenyl ether;bis-(2,4-dichloro-phenyl)-ether;Bis-(2,4-dichlor-phenyl)-aether;2.4.2'.4'-Tetrachlor-diphenylaether;2,4-dichloro-1-(2,4-dichlorophenoxy)benzene
1,1'-氧基二(2,4-二氯苯)化学式
CAS
28076-73-5
化学式
C12H6Cl4O
mdl
——
分子量
307.991
InChiKey
ZRWRPGGXCSSBAO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    70-72 °C
  • 沸点:
    86-88 °C(Press: 5 Torr)
  • 密度:
    1.481±0.06 g/cm3(Predicted)
  • 颜色/状态:
    Crystals from ether
  • 溶解度:
    In water, 0.126 mg/L at 25 °C (est)
  • 蒸汽压力:
    9.89X10-6 mm Hg at 25 °C (est)

计算性质

  • 辛醇/水分配系数(LogP):
    5.5
  • 重原子数:
    17
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    9.2
  • 氢给体数:
    0
  • 氢受体数:
    1

ADMET

毒理性
  • 解毒与急救
/SRP:/ 立即急救:确保已经进行了充分的中和。如果患者停止呼吸,请开始人工呼吸,最好使用需阀复苏器、球阀口罩装置或口袋口罩,按培训操作。根据需要执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐,让患者前倾或将其置于左侧(如果可能的话,头部向下)以保持呼吸道畅通,防止吸入。保持患者安静,维持正常体温。寻求医疗救助。 /醚和有关化合物/
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Ethers and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
/SRP:/ 基本治疗:建立专利气道(如有需要,使用口咽或鼻咽气道)。如有必要,进行吸痰。密切观察呼吸不足的迹象,如有必要,进行辅助通气。通过非重复呼吸面罩以10至15升/分钟的速度给予氧气。提供一个低刺激的环境。监测休克迹象,如有必要,进行治疗……。预期可能出现癫痫,并在必要时进行治疗……。对于眼睛污染,立即用水冲洗眼睛。在运输过程中,用0.9%的生理盐水(NS)连续冲洗每只眼睛……。不要使用催吐剂。对于摄入,如果患者能够吞咽,有强烈的呕吐反射,且不流口水,则用水冲洗口腔,并给予5毫升/千克,最多200毫升的水进行稀释……。通过快速复温治疗冻伤……。 /醚类及相关化合物/
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Provide a low-stimulus environment. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Treat frostbite by rapid rewarming ... . /Ethers and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
/SRP:/ 高级治疗:对于无意识、严重肺水肿或严重呼吸困难的病人,考虑进行口咽或鼻咽气管插管以控制气道。监测心率和必要时治疗心律失常...开始静脉输注D5W /SRP: "保持开放",最低流量/。如果出现低血容量的迹象,使用0.9%盐水(NS)或乳酸林格氏液(LR)。对于伴有低血容量症状的低血压,谨慎给予液体。如果病人在正常血容量下出现低血压,考虑使用血管加压药。注意观察液体过载的迹象...。用地西泮或劳拉西泮治疗癫痫...。使用丙美卡因氢氯化物协助眼部冲洗...。/醚和相关化合物/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ethers and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
/替代和体外测试/ 多氯联苯醚(PCDEs)在结构上与多氯联苯(PCBs)相似,某些PCDE同系物据报道能引起与一些非对位取代PCBs相似的毒性反应,这些反应是通过芳香烃受体(AhR)介导的。对包括双(2,4-二氯苯基)醚在内的29种PCDEs进行了作为AhR激动剂活性的测试,相对于2,3,7,8-四氯代二苯并-p-二恶英(2,3,7,8-TCDD),通过测量它们在H4IIE大鼠肝癌细胞生物测定中诱导细胞色素P-450 1A1相关酶活性,乙氧基脱乙基酶(EROD)的能力。测试的所有PCDE同系物均未发现作为EROD诱导剂活性,除了PCDE 156,它是一个弱EROD诱导剂,其2,3,7,8-TCDD等效因子约为1.2。/作者/确定,在PCDE制剂中作为杂质存在的小量多氯二苯并呋喃(PCDFs)是我们实验中最初测量的EROD诱导现象的原因...
/ALTERNATIVE and IN VITRO TESTS/ Polychlorinated diphenyl ethers (PCDEs) are structurally similar to polychlorinated biphenyls (PCBs), and some PCDE congeners have been reported to cause toxic responses similar to those caused by some of the non-ortho-substituted PCBs, which are mediated by the aryl hydrocarbon receptor (AhR). Twenty-nine PCDEs /including bis(2,4-dichlorophenyl) ether/ were tested for their potency as AhR agonists relative to 2,3,7,8-tetrachlorodibenzo-p-dioxin (2,3,7,8-TCDD) by measuring their ability to induce the cytochrome P-450 1A1-associated enzyme activity, ethoxyresorufin-O-deethylase (EROD), in the H4IIE rat hepatoma cell bioassay. All PCDE congeners tested were found to be inactive as EROD inducers except for PCDE 156, which was a weak EROD inducer with a 2,3,7,8-TCDD equivalency factor of about 1.2 /The authors/ determined that small amounts of polychlorinated dibenzofurans (PCDFs) that occurred as impurities in the PCDE preparations were the cause of the apparent EROD induction initially measured in our experiments...
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
芬兰赫尔辛基地区的人类样本和挪威韦斯特特纳峡湾的北极鳕鱼样本中分析了多氯联苯醚(PCDE)的含量,包括双(2,4-二氯苯基)醚,以及2,3,7,8-氯代二苯并-p-二恶英(PCDD)和二苯并呋喃(PCDF)。简要回顾了芬兰和其他地方的人类和动物样本中的PCDE、PCDD和PCDF含量。PCDE在人类肝脏和睾丸中未被检测到,但在人类脂肪组织和煮熟的北极鳕鱼肝油复合物中识别出了一些PCDE同系物。芬兰人类样本中的PCDE含量与文献中报道的北美人类组织的含量相似。估计芬兰人类脂肪组织中的PCDE 99、147+153(共流出)和206的浓度在每克脂质重量(lw)2到8纳克之间。在鳕鱼肝油中识别出的PCDE同系物的浓度在每克lw 0.4到5纳克之间。在有毒的PCDD和PCDF中,七氯和八氯二恶英在人类中占主导地位...
Finnish human samples from the Helsinki area and Arctic cod samples from Vestertana Fjord (Norway) were analyzed for polychlorinated diphenyl ethers (PCDE) /including bis(2,4-dichlorophenyl) ether/ and 2,3,7,8-chloro substituted dibenzo-p-dioxins (PCDD) and dibenzofurans (PCDF). The PCDE, PCDD and PCDF contents in human and animal samples from Finland and elsewhere were briefly reviewed. PCDEs were non-detectable in human liver and testis, but some PCDE congeners were identified in human adipose tissue and fat of boiled Arctic cod liver composite. The contents of PCDEs in Finnish human samples were similar to those reported in the literature for human tissues from North America. The estimated concentrations of PCDEs 99, 147+153 (coeluting) and 206 ranged between 2 and 8 ng/g lipid weight (lw) in one Finnish human adipose tissue. The concentrations of PCDE congeners identified in the cod liver fat were between 0.4 and 5 ng/g lw. Of toxic PCDDs and PCDFs, hepta- and octa-CDDs dominated in human...
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 海关编码:
    2903999090

SDS

SDS:79c41e7923d6d0c477c24ec27a4dbc94
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1,1'-氧基二(2,4-二氯苯)丙酮 为溶剂, 以95%的产率得到2,4,8-三氯二苯并呋喃
    参考文献:
    名称:
    irgasan-triflate的光化学:在多氯代二苯醚和多氯代二苯并呋喃的合成中,芳族羟基向氯的简单转化
    摘要:
    通过与三氟甲磺酰氯反应,将几种氯苯氧基苯酚转化为三氟甲磺酸。三氟甲磺酸盐在丙酮中于300 nm处进行三重骨架的光解环化反应,得到氯二苯并呋喃或在四氯化碳中被氯气饱和的单重态取代反应,得到相应的氯取代的二苯醚。类似地,将2-氯-3-羟基二苯并呋喃转化为2,3-二氯二苯并呋喃。氯取代三氟甲磺酸酯的机理似乎与氯-芳烃π络合有关。
    DOI:
    10.1016/s0040-4020(01)86752-1
  • 作为产物:
    描述:
    三氯生potassium carbonate 作用下, 以 四氯化碳丙酮 为溶剂, 生成 1,1'-氧基二(2,4-二氯苯)
    参考文献:
    名称:
    irgasan-triflate的光化学:在多氯代二苯醚和多氯代二苯并呋喃的合成中,芳族羟基向氯的简单转化
    摘要:
    通过与三氟甲磺酰氯反应,将几种氯苯氧基苯酚转化为三氟甲磺酸。三氟甲磺酸盐在丙酮中于300 nm处进行三重骨架的光解环化反应,得到氯二苯并呋喃或在四氯化碳中被氯气饱和的单重态取代反应,得到相应的氯取代的二苯醚。类似地,将2-氯-3-羟基二苯并呋喃转化为2,3-二氯二苯并呋喃。氯取代三氟甲磺酸酯的机理似乎与氯-芳烃π络合有关。
    DOI:
    10.1016/s0040-4020(01)86752-1
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文献信息

  • Polyphenylene ether resin compositions containing halogenated aromatic compound alone as a flame retardant agent
    申请人:GENERAL ELECTRIC COMPANY
    公开号:EP0129762A2
    公开(公告)日:1985-01-02
    Flame retardant compositions comprising admixtures of polyphenylene ether resin, a polyalkenyl aromatic and as the sole flame retardant agent, a halogenated aromatic compound or mixture of such compounds, are described. These provide decided advantages over corresponding flame retardant compositions containing synergistic agents and/or aromatic phosphate flame retardants, alone, or in combina- tion with halogenated aromatics. They are useful for shaping into a wide variety of articles for industrial or household purposes.
    阻燃剂组合物包括聚苯醚树脂、聚烯芳烃和作为唯一阻燃剂的卤代芳烃化合物或此类化合物混合物的混合物。与含有增效剂和/或芳香族磷酸酯阻燃剂(单独使用或与卤代芳香烃混合使用)的相应阻燃组合物相比,这些产品具有明显的优势。它们可用于制作各种工业或家用物品。
  • Triple antimicrobial composition
    申请人:——
    公开号:US20010016589A1
    公开(公告)日:2001-08-23
    An antimicrobial composition comprising (i) between 0.025 and 2 percent of an antimicrobial agent selected from the group consisting of chlorhexidine free base, a chlorhexidine salt, polyhexamethylene biguanide, and alexidine; (ii) between 0.005 and 0.1 percent of a quaternary ammonium compound; and (iii) between 0.025 and 2 percent of a chlorinated phenol compound.
    一种抗菌剂组合物,其成分包括:(i) 0.025%至 2%的抗菌剂,选自由洗必泰碱、洗必泰盐、聚六亚甲基双胍和阿来西啶组成的组;(ii) 0.005%至 0.1%的季铵盐化合物;以及 (iii) 0.025%至 2%的氯化酚化合物。
  • Synthesis, Structure Verification, and Chromatographic Relative Retention Times for Polychlorinated Diphenyl Ethers
    作者:Tapio. Nevalainen、Jaana. Koistinen、Pirjo. Nurmela
    DOI:10.1021/es00056a024
    日期:1994.7.1
    Fifty-four polychlorinated diphenyl ether (PCDEs) congeners were synthesized, and their structures were confirmed by mass spectrometry and proton magnetic resonance spectroscopy. The gas chromatographic relative retention times (RRT) for the PCDEs were determined relative to a reference standard, [C-13-3,3',4,4']-tetrachlorobiphenyl (PCB 77) on the fused silica capillary columns of SE-54 and OV-1701. The retention times for PCDEs increased with the increasing number of vicinal chlorines within a series of isomers. The chlorine substitution patterns of PCDEs were used to develop a method for predicting RRTs for congeners that were not synthesized.
  • Matsui; Obokata, Yuki Gosei Kagaku Kyokaishi, 1955, vol. 13, p. 590,594
    作者:Matsui、Obokata
    DOI:——
    日期:——
  • Matsui et al., Yuki Gosei Kagaku Kyokaishi, 1956, vol. 14, p. 401,405
    作者:Matsui et al.
    DOI:——
    日期:——
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同类化合物

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