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1,2-二硝基芘 | 78432-19-6

中文名称
1,2-二硝基芘
中文别名
——
英文名称
1,2-dinitropyrene
英文别名
Dinitropyrene
1,2-二硝基芘化学式
CAS
78432-19-6
化学式
C16H8N2O4
mdl
——
分子量
292.251
InChiKey
PEOXEBCFEGFKKE-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

  • 分解:
    When heated to decomposition it emits toxic fumes of nitric oxide. /1,3-dinitropyrene/

计算性质

  • 辛醇/水分配系数(LogP):
    4.7
  • 重原子数:
    22
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    91.6
  • 氢给体数:
    0
  • 氢受体数:
    4

ADMET

毒理性
  • 致癌性证据
1,6-二硝基芘1,8-二硝基芘:有理由预期为人类致癌物。/硝基芳烃(选定)/
1,6-Dinitropyrene and 1,8-Dinitropyrene: reasonably anticipated to be human carcinogens. /Nitroarenes (Selected)/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
基本治疗:建立专利气道。如有必要,进行吸痰。观察呼吸不足的迹象,并在需要时辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺肿,并在必要时进行治疗……。监测休克,并在必要时进行治疗……。预期癫痫发作,并在必要时进行治疗……。对于眼睛污染,立即用冲洗眼睛。在转运过程中,用生理盐连续冲洗每只眼睛……。不要使用催吐剂。对于摄入,如果患者能吞咽、有强烈的干呕反射且不流口,则用冲洗口腔,并给予5毫升/千克,最多200毫升的进行稀释……。在去污后,用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . 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 normal saline 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
高级治疗:对于无意识、严重肺肿或呼吸停止的患者,考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。监测心率和必要时治疗心律失常。 ... 开始静脉输液,使用D5W/SRP:“保持开放”,最低流量/。如果出现低血容量的迹象,使用乳酸钠林格氏液。注意液体过载的迹象。考虑使用药物治疗肺肿。对于伴有低血容量迹象的低血压,谨慎给予液体。注意液体过载的迹象。用地西泮安定)治疗癫痫。使用丙美卡因化物协助眼部冲洗。/毒药A和B/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
特殊研究/ ... 通过与7,8-苯并黄酮抗体进行的关联分析及抑制研究显示,人类细胞色素P-450酶IA家族在脱毒/1,3-二硝基芘/方面最为有效;细胞色素P-450PA(P-450 IA2,非那西丁O-脱乙基酶)的贡献被认为更为重要,但肝脏中少量细胞色素P1-450(P-450 IA1)的作用也不容忽视。与1,3-二硝基芘的情况不同,1,6-二硝基芘的失活与细胞色素P-450NF(P-450 IIIA4,硝苯地平氧化酶)的平及其催化活性密切相关。1,8-二硝基芘的失活与上述任何参数无关,只与苯并(a)转化为其3-羟基和4,5-二氢二醇产物有关,而在人类肝脏中参与这一转化过程的主要酶尚不清楚。因此,不同二硝基同系物的脱毒涉及不同的人类细胞色素P-450酶,而且这种情况在大鼠肝脏中似乎有所不同。/1,3-、1,6-和1,8-二硝基芘/
/SPECIAL STUDIES/ ... Correlation analysis and inhibition studies with 7,8-benzoflavone and antibodies indicate that human cytochrome P-450 enzymes in the IA family are most effective in detoxicating /1,3-dinitropyrene/...; the contribution of cytochrome P-450PA (P-450 IA2, the phenacetin O-deethylase) is deemed more important, but a role for the small amount of cytochrome P1-450 (P-450 IA1) in the liver cannot be ruled out. In contrast to the case of 1,3-dinitropyrene, the inactivation of 1,6-dinitropyrene is well correlated with levels of cytochrome P-450NF (P-450 IIIA4, nifedipine oxidase) and its catalytic activities. The inactivation of 1,8-dinitropyrene was not correlated with any of the above parameters and only correlated with the conversion of benzo(a)pyrene to its 3-hydroxy and 4,5-dihydrodiol products, for which the principal enzymes involved in human liver are unknown. Thus, distinct human cytochrome P-450 enzymes are involved in the detoxication of different dinitropyrene congeners, and the situation appears to contrast with that in rat liver. /1,3-, 1,6-, and 1,8-dinitropyrene/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
专项研究:已经证实1,6-二硝基芘能诱导外周人淋巴细胞培养物中的染色体损伤。使用人淋巴细胞得到阳性结果的事实表明,在适当的活化系统存在下,二硝基对人细胞具有基因毒性。
/SPECIAL STUDIES/ The ability of 1,6-dinitropyrene to induce chromosome damage in peripheral human lymphocyte cultures has been demonstrated. ... The fact that a positive result was obtained using human lymphocytes shows that, in the presence of the appropriate activation system, dinitropyrene is genotoxic in human cells. /1,6-dinitropyrene/
来源:Hazardous Substances Data Bank (HSDB)

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

  • 作为产物:
    参考文献:
    名称:
    Syntheses of Acetyl-1-bromopyrenes
    摘要:
    在氯化铝存在下,1-溴芘与乙酸酐反应,除了得到预期的化合物 6-乙酰基-1-溴芘和 8-乙酰基-1-溴芘外,还得到了同位取代的化合物 1-乙酰基芘。通过对 2-乙酰氨基-1-溴-4,5,9,10-四氢芘进行乙酰化,制备出了 7-乙酰基-1-溴芘。乙酰溴芘的结构是根据二维核磁共振光谱确定的。
    DOI:
    10.1246/bcsj.62.68
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文献信息

  • Desmutagenic substances and their production
    申请人:Nihon Shokuhin Kako Co., Ltd.
    公开号:EP0194060A2
    公开(公告)日:1986-09-10
    Novel desmutagenic substances and their production are disclosed. The desmutagenic substances are a fibrous food constituent separated from corn fibres. These substances inactivate mutagens such as nitroallene and food pyrolysate mutagens. They may be produced by removing starch, protein or other material from corn fibre by enzymic, chemical or physical treatment or a combination thereof.
    本发明公开了新型去突变物质及其生产方法。 去突变物质是从玉米纤维中分离出来的纤维状食品成分。 这些物质能使硝基苯烯和食品热解物突变剂等突变剂失活。 它们可以通过酶、化学或物理处理或它们的组合从玉米纤维中去除淀粉、蛋白质或其他物质而生产出来。
  • DEVICE AND METHOD FOR ANALYZING POLYCYCLIC AROMATIC HYDROCARBON HAVING NITRO GROUP IN DIESEL PARTICULATE
    申请人:Isuzu Motors Limited
    公开号:EP1707959A1
    公开(公告)日:2006-10-04
    The invention provides an apparatus and method for efficiently analyzing nitropolycyclic aromatic hydrocarbon contained in diesel particulates. The invention comprises a step of extracting soluble organic fraction from diesel particulates contained in the exhaust of a diesel engine using a solvent, a step of concentrating and drying the extraction obtained by the extraction step, and a step of separating and extracting the solution via high-performance liquid chromatograph, wherein the separation step via the high-performance liquid chromatograph comprises a separation step using a silica gel/C8 column, a reduction step using an alumina/Pt-Rh reduction column, and a separation step using an ODS column, and further comprises a subsequent step of quantifying the nitropolycyclic aromatic hydrocarbon using a fluorescence detector.
    本发明提供了一种有效分析柴油微粒中含有的硝基环芳烃的装置和方法。 本发明包括使用溶剂从柴油发动机排气中的柴油微粒中提取可溶性有机组分的步骤,浓缩和干燥提取步骤得到的提取物的步骤,以及通过高效液相色谱仪分离和提取溶液的步骤、其中,通过高效液相色谱仪的分离步骤包括使用硅胶/C8 柱的分离步骤、使用氧化铝/Pt-Rh 还原柱的还原步骤和使用 ODS 柱的分离步骤,还包括使用荧光检测器对硝基环芳烃进行定量的后续步骤。
  • Method of preparing graphene quantum dot, hardmask composition including the graphene quantum dot obtained by the method, method of forming patterns using the hardmask composition, and hardmask formed from the hardmask composition
    申请人:Samsung Electronics Co., Ltd.
    公开号:US10808142B2
    公开(公告)日:2020-10-20
    Provided are a method of preparing a graphene quantum dot, a graphene quantum dot prepared using the method, a hardmask composition including the graphene quantum dot, a method of forming a pattern using the hardmask composition, and a hardmask obtained from the hardmask composition. The method of preparing a graphene quantum dot includes reacting a graphene quantum dot composition and an including a polyaromatic hydrocarbon compound and an organic solvent at an atmospheric pressure and a temperature of about 250° C. The polyaromatic hydrocarbon compound may include at least four aromatic rings.
    本发明提供了一种制备石墨烯量子点的方法、一种使用该方法制备的石墨烯量子点、一种包括石墨烯量子点的硬掩膜组合物、一种使用硬掩膜组合物形成图案的方法,以及一种由硬掩膜组合物获得的硬掩膜。制备石墨烯量子点的方法包括在大气压和约 250° C 的温度下,使石墨烯量子点组合物与包括多芳烃化合物和有机溶剂的物质反应。
  • Process for the catalytic removal of polycyclic aromatic nitro, nitroso and/or amino compounds
    申请人:——
    公开号:US20010021364A1
    公开(公告)日:2001-09-13
    A process is provided for the catalytic removal of polycyclic aromatic nitro, nitroso and/or amino compounds from the exhaust gas of a combustion system, in particular a diesel engine. The exhaust gas is brought into contact with a catalytic converter which includes a catalytically active material that contains titanium dioxide, at a temperature of from 150 to 600° C. The polycyclic aromatic compounds are oxidized at the catalytic converter through the use of oxygen to form nitrogen oxides, carbon dioxide and water.
    提供了一种催化去除燃烧系统,特别是柴油发动机废气中多环芳香族硝基、亚硝基和/或氨基化合物的工艺。废气在 150 至 600 摄氏度的温度下与催化转换器接触,催化转换器包括一种含有二氧化钛的催化活性材料。
  • Leersum, Anne M. van den Braken-van; Cornelisse, Jan; Lugtenburg, Johan, Journal of the Chemical Society. Chemical communications, 1987, # 15, p. 1156 - 1157
    作者:Leersum, Anne M. van den Braken-van、Cornelisse, Jan、Lugtenburg, Johan
    DOI:——
    日期:——
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