2-甲基芘 | 3442-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 中文名称: 2-甲基芘
• 英文名称: 2-methylpyrene
• 英文别名: 2-methyl-pyrene；2-Methyl-pyren
• CAS: 3442-78-2
• 化学式: C₁₇H₁₂
• 分子量: 216.282
• InChiKey: VIRFPLJXRDHVEI-UHFFFAOYSA-N

物化性质

• 熔点：
  143°C
• 沸点：
  406.7°C (estimate)
• 密度：
  1.1020 (estimate)
• 颜色/状态：
  Flakes from ethanol
• 溶解度：
  In water, 0.10 mg/L at 25 °C (estimated)
• 蒸汽压力：
  3.1X10-7 mm Hg at 25 °C (est)
• 保留指数：
  2253.6;370;370.2;374.2;369
• 稳定性/保质期：
  存在于烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

毒理性

• 毒性总结

识别和使用：2-甲基芘是一种多环芳香烃。人类接触和毒性：无数据可用。动物研究：将2-甲基芘涂在鼠皮上，作为致癌物无效。

IDENTIFICATION AND USE: 2-Methylpyrene is a polynuclear aromatic hydrocarbon. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: 2-Methylpyrene, painted on mouse skin was inactive as carcinogen.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

立即急救：确保已经进行了充分的中和。如果患者停止呼吸，请进行人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。如有必要，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。如果患者发生呕吐，让患者身体前倾或将其置于左侧卧位（如果可能的话，头部向下），以保持呼吸道畅通，防止误吸。保持患者安静，维持正常体温。寻求医疗帮助。/芳香烃及其相关化合物/

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 if 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. /Aromatic hydrocarbons and related compounds/

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（如需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，协助通气。通过非重复呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预防癫痫发作，如有必要，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）持续冲洗每只眼睛……。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。给予活性炭……。/芳香烃及其相关化合物/

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. 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 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 L of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于昏迷、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。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注5%葡萄糖水（D5W），保持通路开放，最低流速……。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸钠林格氏液（LR）。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……。用安定（地西泮）或劳拉西泮（阿蒂凡）治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/芳香烃及其相关化合物/

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. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W TKO /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. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aromatics hydrocarbons and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：慢性暴露或致癌性/ 三环和四环芳烃衍生物的致癌活性：苔藓酸的无效衍生物：2-甲基苔藓酸，涂在鼠皮上。/来自表格/

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Carcinogenic activities of tri- and tetracyclic aromatic hydrocarbon derivates: inactive derivatives of pyrene: 2-methylpyrene, painted on mouse skin. /From table/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2902909090

反应信息

• 作为反应物：
  描述：

  2-甲基芘 在 硫酸 、 三氧化硫 、 硝酸 、 氯 、 邻二氯苯 作用下， 生成 1,4,5,8-萘四甲酸
  参考文献：
  名称：

  Treibs; Moebius, Justus Liebigs Annalen der Chemie, 1958, vol. 619, p. 122,136

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-2,3-dihydro-1H-phenalene 在 二硫化碳 、 三氯化铝 、 malonyl bromide 作用下， 生成 2-甲基芘
  参考文献：
  名称：

  Harris et al., Journal of Applied Chemistry, 1953, vol. 3, p. 443,447

  摘要：

  DOI：

文献信息

• A Highly Selective Transannular Route to<i>trans</i>-<i>trans</i>-1,2,3,3a,4,-5,9,10,10a,10b-Decahydropyrenes from [2.2]Metacyclophanes
  作者：Takeo Sato、Kozaburo Nishiyama、Akira Morita、Yoichi Iitaka

  DOI：10.1246/bcsj.58.2366

  日期：1985.8

  The treatment of [2.2]metacyclophanes with aluminum chloride gave a variety of hydropyrenes as the results of dehydrogenation, cycloisomerization, and disproportionation reactions. With ethylaluminum dichloride, however, a highly selective reaction occurred to give trans-trans-1,2,3,3a,4,5,9,10,10a,10b-decahydropyrene. Revised structures were presented for cis-cis- and trans-trans-decahydropyrenes

  作为脱氢、环异构化和歧化反应的结果，用氯化铝处理 [2.2] 间环芳烃会产生多种氢芘。然而，使用二氯化乙基铝时，发生了高度选择性的反应，生成反式-反式-1,2,3,3a,4,5,9,10,10a,10b-十氢芘。基于 13 C NMR 和 X 射线晶体学分析，提出了针对顺-顺-和反-反-十氢芘的修订结构。
• Hempenius, Mark A.; Lugtenburg, Johan; Cornelisse, Jan, Journal of the Chemical Society. Perkin transactions I, 1991, # 3, p. 635 - 638
  作者：Hempenius, Mark A.、Lugtenburg, Johan、Cornelisse, Jan

  DOI：——

  日期：——
• Yamato, Takehiko; Arimura, Takashi; Tashiro, Masashi, Journal of the Chemical Society. Perkin transactions I, 1987, p. 1 - 8
  作者：Yamato, Takehiko、Arimura, Takashi、Tashiro, Masashi

  DOI：——

  日期：——
• 262. The synthesis of compounds related to the sterols, bile acids, and oestrus-producing hormones. Part I. 1 : 2-cycloPentenophenanthrene
  作者：J. W. Cook、C. L. Hewett

  DOI：10.1039/jr9330001098

  日期：——
• Metacyclophanes and related compounds. 19. Reaction of 8-methoxy[2.2]metacyclophanes with iodine in benzene solution. A preparative route to pyrenes
  作者：Masashi Tashiro、Takehiko Yamato、Kazumasa Kobayashi、Takashi Arimura

  DOI：10.1021/jo00391a004

  日期：1987.7

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