2,2-二硝基丙基丙烯酸酯 | 17977-09-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2,2-二硝基丙基丙烯酸酯
• 中文别名: 2,2-二硝基丙基丙烯酰酸酯
• 英文名称: Acrylsaeure-(2,2-dinitro-propylester)
• 英文别名: 2,2-Dinitropropylacrylat；acrylic acid-(2,2-dinitro-propyl ester)；1-Acryloyloxy-2,2-dinitro-propan；2,2-dinitropropyl acrylate；2,2-dinitropropyl prop-2-enoate
• CAS: 17977-09-2
• 化学式: C₆H₈N₂O₆
• 分子量: 204.139
• InChiKey: BGPPMVLBKMPVQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• 副作用

皮肤致敏剂 - 一种可以诱导皮肤产生过敏反应的制剂。

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

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。鼓励患者深呼吸。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。监测肺水肿，并在必要时进行治疗……。监测休克，并在必要时进行治疗……。预见并处理癫痫发作……。对于眼睛污染，立即用水冲洗眼睛。在转运过程中，用生理盐水连续冲洗每只眼睛……。不要使用催吐剂。对于误食，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……。/刺激性材料/

Basic treatment: Establish a patent airway. Suction if necessary. Encourage patient to take deep breaths. 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 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 ... . /Irritating materials/

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。在上呼吸道梗阻的第一个迹象出现时，可能需要早期插管。使用气囊阀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5%葡萄糖水TKO/SRP：“保持开放”，最低流量。如果出现低血容量的迹象，使用乳酸钠林格液。注意液体过载的迹象。考虑使用药物治疗肺水肿。用安定（安定）治疗癫痫。使用丙美卡因氢氯化物协助眼部冲洗。/刺激性材料/

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. Early intubation at the first sign of upper airway obstruction may be necessary. 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 D5W TKO /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 ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Irritating materials/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

丙烯酸酯的急性毒性随着分子量的增加而降低。人体在摄入丙烯酸单体后可能会出现崩溃、严重呼吸困难和中枢神经系统刺激的症状。吸入高浓度丙烯酸可能会引起明显的刺激、流涎、结膜炎以及显著的肺部刺激或水肿。长时间皮肤或眼睛接触可能会导致严重组织损伤。单次暴露的病理变化不具有特异性，与重复暴露的影响不同，后者包括肺部充血或出血以及肝脏和肾脏的混浊肿胀。/丙烯酸酯/

THE ACUTE TOXICITY OF THE ACRYLATES DECREASES WITH INCREASING MOLECULAR WEIGHT. ... HUMAN SIGNS & SYMPTOMS FOLLOWING INGESTION OF ACRYLIC MONOMERS INCL COLLAPSE, SEVERE RESPIRATORY DIFFICULTIES, & CNS STIMULATION. ACUTE INHALATION OF HIGHER CONCN MAY CAUSE MARKED IRRITATION, SALIVATION, CONJUNCTIVAL IRRITATION, & PRONOUNCED PULMONARY IRRITATION OR EDEMA. PROLONGED SKIN OR EYE CONTACT MAY RESULT IN SEVERE TISSUE DAMAGE. THE PATHOLOGY FROM SINGLE EXPOSURE IS NONSPECIFIC, CONTRARY TO REPEATED EXPOSURE EFFECTS, WHICH INCL PULMONARY CONGESTION OR HEMORRHAGE & CLOUDY SWELLING OF LIVER & KIDNEY. /ACRYLATES/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

单、双、三丙烯酸酯化合物对豚鼠产生了接触敏感性。/单、双、三丙烯酸酯化合物/

Contact sensitivity was produced in guinea pigs with mono-, di-, and tri- acrylate compounds. /Mono-, di-, and tri- acrylate compounds/

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  2,2-二硝基丙基丙烯酸酯 在 dihydrogen hexachloroplatinate 、 三氯硅烷 、 对苯二酚 作用下， 以 异丙醇 为溶剂， 生成 3-Trichlorsilyl-propionsaeure-<2,2-dinitro-propylester>
  参考文献：
  名称：

  Addition of hydrosilanes to unsaturated nitro compounds, and the synthesis of (Nitroalkyl)siloxanes

  摘要：

  DOI：

  10.1007/bf00844101
• 作为产物：
  描述：

  2,2-二硝基-1-丙醇 、 丙烯酸 在 硫酸 作用下， 生成 2,2-二硝基丙基丙烯酸酯
  参考文献：
  名称：

  gem-Dinitroalkyl Acrylates

  摘要：

  DOI：

  10.1021/jo01069a539

文献信息

• Functionalized Photoreactive Compounds
  申请人：Cherkaoui Mohammed Zoubair

  公开号：US20080274304A1

  公开（公告）日：2008-11-06

  The present invention concerns functionalized photoreactive compounds of formula (I), that are particularly useful in materials for the alignment of liquid crystals. Due to the adjunction of an electron withdrawing group to specific molecular systems bearing an unsaturation directly attached to two unsaturated ring systems, exceptionally high photosensitivities, excellent alignment properties as well as good mechanical robustness could be achieved in materials comprising said functionalized photoreactive compounds of the invention.

  本发明涉及式(I)的官能化光反应化合物，特别适用于液晶对准材料。由于在特定分子系统中的不饱和键直接连接到两个不饱和环系统上附加了一个电子受体基团，因此在包含本发明的这些官能化光反应化合物的材料中可以实现异常高的光敏性、优异的对准性能以及良好的机械稳健性。
• [EN] CYANOSTILBENES<br/>[FR] CYANOSTILBÈNES
  申请人：ROLIC AG

  公开号：WO2014191292A1

  公开（公告）日：2014-12-04

  The present invention relates to novel compounds that are particularly useful for the alignment, especially photoalignment, of slave material, especially liquid crystals for optical or electro-optical applications, such as security applications, liquid crystal devices or optical or electro-optical films.

  本发明涉及一种新型化合物，特别适用于用于光学或电光应用的从材料，尤其是液晶的定向，特别是光定向，如安全应用、液晶器件或光学或电光薄膜。
• CYANOSTILBENES
  申请人：ROLIC AG

  公开号：US20160083655A1

  公开（公告）日：2016-03-24

  The present invention relates to novel compounds that are particularly useful for the alignment, especially photoalignment, of slave material, especially liquid crystals for optical or electro-optical applications, such as security applications, liquid crystal devices or optical or electro-optical films.

  本发明涉及新型化合物，特别适用于对从材料进行定向，尤其是光定向，特别是用于光学或电光应用的从材料，例如安全应用、液晶器件或光学或电光薄膜。
• Functionalized photoreactive compounds
  申请人：Rolic AG

  公开号：EP1764405A1

  公开（公告）日：2007-03-21

  The present invention concerns functionalized photoreactive compounds of formula (I) that are particularly useful in materials for the alignment of liquid crystals. Due to the adjunction of an electron withdrawing group to specific molecular systems bearing an unsaturation directly attached to two unsaturated ring systems, exceptionally high photosensitivities, excellent alignment properties as well as good mechanical robustness could be achieved in materials comprising said functionalized photoreactive compounds of the invention.

  本发明涉及式 (I) 的官能化光活性化合物，这些化合物在液晶配向材料中特别有用。 由于在直接连接两个不饱和环体系的特定分子体系中加入了一个退电子基团，因此在包含本发明所述功能化光活性化合物的材料中，可以获得极高的光敏性、优异的配向性能以及良好的机械坚固性。
• REDOX-ACTIVE CHROMOPHORE MOLECULES AND DEVICES UTILIZING THE SAME
  申请人：YEDA RESEARCH AND DEVELOPMENT CO., LTD.

  公开号：EP3228624A2

  公开（公告）日：2017-10-11

  A compound of general formula I: and a sensor device comprising said compound which is configured and operable for sensing at least one predetermined liquid or gas substance.

  通式 I 的化合物： 以及包含上述化合物的传感器装置，该装置经配置可用于感应至少一种预定的液体或气体物质。