2,6-二硝基-4-辛基苯酚 | 4097-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,6-二硝基-4-辛基苯酚
• 英文名称: 2,6-dinitro-4-octyl-phenol
• 英文别名: 2,6-Dinitro-4-octylphenol
• CAS: 4097-33-0
• 化学式: C₁₄H₂₀N₂O₅
• 分子量: 296.323
• InChiKey: NYGISSDEOKKXOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  5

ADMET

毒理性

• 副作用

Nephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting. 肾毒素 - 该化学品在职业环境中可能对肾脏有毒。

Nephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

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，如有必要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测休克并视需要进行治疗……监测肺水肿并视情况进行治疗……预计癫痫发作并视情况进行治疗……对于眼睛污染，立即用流水冲洗。在运输过程中，用生理盐水连续冲洗每只眼睛……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水，用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭……在去污后，用干燥的无菌敷料覆盖皮肤烧伤……在体温过高的情况下，可能需要进行快速体表降温。水杨酸类药物是禁忌的。/二硝基酚及其相关化合物/

Basic treatment: Establish a patent airway. 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 shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes if 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. Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . Rapid body cooling may be necessary in case of hyperthermia. Salicylates are contraindicated. /Dinitrophenol 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。监测心率和必要时治疗心律失常。 ... 开始静脉输液，使用乳酸钠林格液治疗脱水。观察液体过载和肺水肿的迹象。对于低血压伴有低血容量的迹象，谨慎给予液体。对于血容量正常的低血压，考虑使用血管加压药。观察液体过载的迹象 ... 考虑药物治疗肺水肿 ... 使用地西泮（安定）治疗癫痫发作 ... 如果病人在严重低氧血症、发绀和心脏功能不全对氧气治疗无反应的情况下有症状，给予1%亚甲基蓝溶液。 ... 使用丙美卡因氢氯化物协助眼部冲洗 ... /二硝基酚及其相关化合物/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in severe respiratory distress. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with lactated Ringer's to treat dehydration. Watch for signs of fluid overload and pulmonary edema. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid overload ... . Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Dinitrophenol and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

症状学：1. 严重疲劳，极度口渴，大量出汗，面部潮红。2. 恶心，呕吐，腹痛，偶尔腹泻。3. 心神不宁，焦虑，兴奋，偶尔导致抽搐。/二硝基苯酚/

SYMPTOMATOLOGY: 1. MARKED FATIGUE, TREMENDOUS THIRST, PROFUSE SWEATING, FLUSHING OF FACE. 2. NAUSEA, VOMITING, ABDOMINAL PAIN, & OCCASIONALLY DIARRHEA. 3. RESTLESSNESS, ANXIETY, EXCITEMENT, OCCASIONALLY LEADING TO CONVULSIONS. /DINITROPHENOL/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

症状学：4. 体温升高...大致与毒性剂量成正比，可能导致严重高热... 5. 心动过速，过度换气，呼吸困难，发绀，以及...肌肉痉挛。6. 失去意识，呼吸停止，和死亡。/二硝基苯酚/

SYMPTOMATOLOGY: 4. RISE IN BODY TEMP...ROUGHLY PROPORTIONAL TO TOXIC DOSE, MAY CULMINATE IN SEVERE HYPERPYREXIA... 5. TACHYCARDIA, HYPERPNEA, DYSPNEA, CYANOSIS, &...MUSCLE CRAMPS. 6. LOSS OF CONSCIOUSNESS, CESSATION OF BREATHING, & DEATH. /DINITROPHENOL/

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为产物：
  描述：

  4-辛基酚 在 硝酸 、 溶剂黄146 作用下， 生成 2,6-二硝基-4-辛基苯酚
  参考文献：
  名称：

  PREPARATION OF DINITRO-n-ALKYL PHENOLS

  摘要：

  描述了一系列二硝基-n-烷基酚的制备。这些二硝基酚被表征为其哌啶、吗啉和环己胺盐。在工作过程中获得了一些这些n-烷基酚和中间羟基酮的新衍生物。

  DOI：

  10.1139/v53-113

文献信息

• Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom
  申请人：Sivieri Franco

  公开号：US20080255233A1

  公开（公告）日：2008-10-16

  The present invention relates to an isomeric composition comprising isomers of dinitro-octylphenyl esters, wherein the 2,6-dinitro-4-(1-propylpentyl)phenyl ester isomer is present in an amount of less than 0.1 weight percent, based on the total weight of the isomeric composition and to synergistic fungicidal mixtures therefrom.

  本发明涉及一种同分异构体组合物，包括二硝基辛基苯酯的异构体，其中2,6-二硝基-4-(1-丙基戊基)苯酯异构体的含量低于总同分异构体组合物重量的0.1重量百分比，并涉及由此制成的协同杀真菌混合物。
• ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM
  申请人：Dow AgroSciences LLC

  公开号：EP1830641B1

  公开（公告）日：2011-05-25
• US8557866B2
  申请人：——

  公开号：US8557866B2

  公开（公告）日：2013-10-15
• [EN] ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM<br/>[FR] MELANGES ISOMERIQUES D'ESTERS DINITRO-OCTYLPHENYLE ET MELANGES FONGICIDES SYNERGIQUES DE CEUX-CI
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2006044460A1

  公开（公告）日：2006-04-27

  [EN] The present invention relates to an isomeric composition comprising isomers of dinitro-octylphenyl esters, wherein the 2,6-dinitro-4-(1-propylpentyl)phenyl ester isomer is present in an amount of less than 0.1 weight percent, based on the total weight of the isomeric composition and to synergistic fungicidal mixtures therefrom.
  [FR] L'invention concerne une composition isomérique contenant des isomères d'esters de dinitro-octylphényle, dans laquelle l'ester de 2,6-dinitro-4-(1-propylpentyl)phényle est présent à raison d'une proportion inférieure à 0,1 pour-cent en poids par rapport au poids total de la composition isomérique, et des mélanges fongicides synergiques de cette composition.
• PREPARATION OF DINITRO-<i>n</i>-ALKYL PHENOLS
  作者：G. G. S. Dutton、T. I. Briggs、B. R. Brown、R. K. Powell

  DOI：10.1139/v53-113

  日期：1953.9.1

  The preparation of a series of dinitro-n-alkyl phenols is described. The dinitrophenols were characterized as their piperidine, morpholine, and cyclohexylamine salts. In the course of the work some new derivatives of these n-alkyl phenols and intermediate hydroxyketones were obtained.

  描述了一系列二硝基-n-烷基酚的制备。这些二硝基酚被表征为其哌啶、吗啉和环己胺盐。在工作过程中获得了一些这些n-烷基酚和中间羟基酮的新衍生物。