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二醚 | 63918-89-8

中文名称
二醚
中文别名
——
英文名称
bis(2-chloroethylthioethyl)ether
英文别名
bis-[2-(2-chloro-ethylsulfanyl)-ethyl]-ether;2.2'-Bis-(2-chlor-aethylmercapto)-diaethylaether;Bis-[2-(2-chlor-aethylmercapto)-aethyl]-aether;O-Mustard;1-(2-chloroethylsulfanyl)-2-[2-(2-chloroethylsulfanyl)ethoxy]ethane
二醚化学式
CAS
63918-89-8
化学式
C8H16Cl2OS2
mdl
——
分子量
263.252
InChiKey
FWVCSXWHVOOTFJ-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

计算性质

  • 辛醇/水分配系数(LogP):
    2.6
  • 重原子数:
    13
  • 可旋转键数:
    10
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    59.8
  • 氢给体数:
    0
  • 氢受体数:
    3

ADMET

毒理性
  • 毒性总结
识别和使用:纯净水芥是无色的,但通常是一种从黄色到棕色的油性物质,具有轻微的大蒜或芥末气味。这是一种战争和恐怖主义剂。人体研究:高剂量的硫芥可以导致过度兴奋、抽搐和失眠。眼睛是对硫芥作用最敏感的组织。硫芥蒸气或液体可能导致剧烈的结膜和巩膜疼痛、肿胀、流泪、眼睑痉挛和畏光;然而,这些效果在一个小时或更长时间后才会出现。由于胆碱能效应,可能会发生瞳孔缩小。高浓度的蒸气或液体可以导致角膜水肿、穿孔、失明,以及后期的疤痕形成。直接皮肤接触硫芥会导致红斑和水疱。通常,4到8小时内会出现瘙痒性皮疹,随后在2到18小时内出现水疱。接触蒸气可能会导致一度和二度烧伤,而接触液体通常会引发二度和三度化学烧伤。烧伤面积覆盖25%或更多身体表面积可能是致命的。摄入可能会导致胃肠道化学烧伤和胆碱能刺激。摄入或吸入后可能会出现恶心和呕吐。早期的恶心和呕吐通常是短暂的,并不严重。在暴露几天后出现的恶心、呕吐和腹泻表明胃肠道受损,因此是一个不良的预后迹象。剂量相关的上呼吸道和下呼吸道炎症反应在暴露数小时后开始发展,并在数天内进展。可能出现鼻痛、鼻出血、窦痛、喉炎、味觉和嗅觉丧失、咳嗽、喘息和呼吸困难。呼吸道上皮坏死可能导致假膜形成和局部气道阻塞。死亡通常发生在5到10天之间,由于免疫系统的损害,导致肺功能不足并并发感染。硫芥的系统吸收可能会导致骨髓抑制和致命并发症感染、出血和贫血的风险增加。在严重眼病变看似愈合多年后,可能会发展出复发性角膜炎或角膜病。长期或反复急性接触硫芥可能会导致皮肤敏感化和慢性呼吸道疾病。动物研究:没有可用的数据。
IDENTIFICATION AND USE: O-Mustard is colorless when pure but is typically a yellow to brown oily substance with a slight garlic or mustard odor. This is a warfare and terrorism agent. HUMAN STUDIES: High doses of sulfur mustards can cause hyperexcitability, convulsions, and insomnia. The eye is the most sensitive tissue to sulfur mustard effects. Sulfur mustard vapor or liquid may cause intense conjunctival and scleral pain, swelling, lacrimation, blepharospasm, and photophobia; however, these effects do not appear for an hour or more. Miosis due to cholinergic effects may occur. High concentrations of vapor or liquid can cause corneal edema, perforation, blindness, and later scarring. Direct skin exposure to sulfur mustards causes erythema and blistering. Generally, a pruritic rash will develop within 4 to 8 hours followed by blistering 2 to 18 hours later. Contact with the vapor may result in first and second degree burns, while contact with the liquid typically produces second and third degree chemical burns. An area of burn covering 25% or more of the body surface area may be fatal. Ingestion may cause chemical burns of the GI tract and cholinergic stimulation. Nausea and vomiting may occur following ingestion or inhalation. Early nausea and vomiting is usually transient and not severe. Nausea, vomiting, and diarrhea occurring several days after exposure indicates damage to the GI tract and thus is a poor prognostic sign. Dose-dependent inflammatory reactions in the upper and lower airway begin to develop several hours after exposure and progress over several days. Burning nasal pain, epistaxis, sinus pain, laryngitis, loss of taste and smell, cough, wheezing, and dyspnea may occur. Necrosis of respiratory epithelium can cause pseudomembrane formation and local airway obstruction. Death usually occurs between 5 and 10 days due to pulmonary insufficiency complicated by infection due to immune system compromise. Systemic absorption of sulfur mustard may induce bone marrow suppression and an increased risk for fatal complicating infections, hemorrhage, and anemia. Years after apparent healing of severe eye lesions, relapsing keratitis or keratopathy may develop. Prolonged or repeated acute exposure to sulfur mustards may cause cutaneous sensitization and chronic respiratory disease. ANIMAL STUDIES: There are no data available.
来源:Hazardous Substances Data Bank (HSDB)
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。寻求医疗帮助。 /糜烂性毒剂(发疱剂)/
/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. /Blister Agents (Vesicants)/
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。可能需要积极控制气道。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,如有必要,进行治疗……。监测休克,如有必要,进行治疗……。预期可能出现癫痫,如有必要,进行治疗……。对于眼睛污染,立即用水冲洗眼睛。在转运过程中,用0.9%的生理盐水(NS)连续冲洗每只眼睛……。/糜烂性毒剂(发疱剂)/
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Aggressive airway control may be needed. Watch for signs of respiratory insufficiency and assist ventilations it 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 ... . /Blister Agents (Vesicants)/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
/SRP:/ 高级治疗:对于失去意识或严重呼吸困难的病人,考虑进行口咽或鼻咽插管以控制气道。在上呼吸道阻塞的第一个迹象出现时,可能需要尽早进行插管。使用气囊面罩进行正压通气技术可能有益。监测心率和必要时治疗心律失常...开始静脉输注5%葡萄糖(D5W)/SRP: "保持开放",最低流速/。如果出现低血容量的迹象,使用0.9%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。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。注意液体过载的迹象...用地西泮(安定)或劳拉西泮(安定文)治疗癫痫...使用丙美卡因氢氯化物协助眼部冲洗.../糜烂性毒剂(发泡剂)/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or is in severe respiratory distress. 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 as 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 (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Blister Agents (Vesicants)/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
症状可能在24小时内不会出现。在接触后至少24小时就诊,且症状表明轻微接触的患者,在治疗后以及记录了他们的姓名、地址和电话号码后,可以被送回家。应建议他们休息,如果出现其他症状,应立即寻求医疗护理... /硫芥/
Symptoms may not develop for 24 hours. Patients who are seen at least 24 hours after exposure and whose symptoms indicate mild exposure may be sent home after treatment and once their names, addresses, and telephone numbers have been recorded. They should be advised to rest and to seek medical care promptly if additional symptoms develop... /Sulfur mustards/
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

  • 作为反应物:
    描述:
    二醚氢溴酸 作用下, 生成 2-bromo-2-chloro-diethyl sulfide
    参考文献:
    名称:
    Woodward, Journal of the Chemical Society, 1948, p. 37
    摘要:
    DOI:
  • 作为产物:
    描述:
    硫二甘醇盐酸 作用下, 生成 二醚
    参考文献:
    名称:
    Davies; Oxford, Journal of the Chemical Society, 1931, p. 229
    摘要:
    DOI:
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文献信息

  • [EN] VITAMIN D RECEPTOR MODULATORS<br/>[FR] MODULATEURS DE RECEPTEUR DE VITAMINE D
    申请人:LILLY CO ELI
    公开号:WO2004048309A1
    公开(公告)日:2004-06-10
    The present invention relates to novel, non-secosteroidal, diaryl compounds with vitamin D receptor (VDR) modulating activity that are less hypercalcemic than 1a,25 dihydroxy vitamin D3. These compounds are useful for treating bone disease and psoriasis.
    本发明涉及一种新颖的、非类固醇的、二芳基化合物,具有维生素D受体(VDR)调节活性,比1a,25二羟基维生素D3更少引起高钙血症。这些化合物可用于治疗骨疾病和牛皮癣。
  • NANO-REAGENTS WITH COOPERATIVE CATALYSIS AND THEIR USES IN MULTIPLE PHASE REACTIONS
    申请人:Gao Yong
    公开号:US20110190506A1
    公开(公告)日:2011-08-04
    Nano-reagents with catalytic activity are provided herein. The nanocatalyst comprises at least one amino acid attached to a nanoparticle, wherein the reactive side chain of the amino acid catalyzes a chemical or biological reaction. Methods of using these nano-reagents to catalyze reactions in solution or in multiple phases are also provided, as are methods of making these nanocatalysts.
    本发明提供了具有催化活性的纳米试剂。该纳米催化剂包括至少一种与纳米颗粒相连的氨基酸,其中氨基酸的反应侧链催化化学或生物反应。还提供了使用这些纳米试剂在溶液中或多相催化反应的方法,以及制造这些纳米催化剂的方法。
  • Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators
    申请人:Nagpal Sunil
    公开号:US20060094778A1
    公开(公告)日:2006-05-04
    The present invention relates to a method of treating or preventing damage to human skin cells by chemical vesicants by administering a non-secosteroidal, diphenyl compound with vitamin D receptor (VDR) modulating activity.
    本发明涉及一种通过给予一种具有维生素D受体(VDR)调节活性的非类固醇二苯基化合物来治疗或预防化学性水疱剂对人体皮肤细胞的损伤的方法。
  • [EN] VITAMIN D RECEPTOR MODULATORS<br/>[FR] MODULATEURS DE RECEPTEUR DE LA VITAMINE D
    申请人:LILLY CO ELI
    公开号:WO2005051938A1
    公开(公告)日:2005-06-09
    The present invention relates to novel, non-secosteroidal, phenyl-benzofuran compounds with vitamin D receptor (VDR) modulating activity that are less hypercalcemic than 1α,25 dihydroxy vitamin D3. These compounds are useful for treating bone disease and psoriasis.
    本发明涉及一种新颖的非类固醇、苯基-苯并呋喃化合物,具有维生素D受体(VDR)调节活性,比1α,25二羟基维生素D3更少引起高钙血症。这些化合物可用于治疗骨疾病和牛皮癣。
  • Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators
    申请人:Nagpal Sunil
    公开号:US20060135484A1
    公开(公告)日:2006-06-22
    The present invention relates to a method of treating or preventing damage to human skin cells by chemical vesicants by administering a non-secosteroidal, phenylthiophene compound with vitamin D receptor (VDR) modulating activity.
    这项发明涉及一种通过给予一种具有维生素D受体(VDR)调节活性的非类固醇苯硫苯化合物来治疗或预防化学性水泡剂对人体皮肤细胞的损伤的方法。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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