1,2-二溴乙烯 | 590-12-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 1,2-二溴乙烯
• 英文名称: (E)-1,2-dibromoethene
• 英文别名: trans-1,2-Dibrom-aethylen；trans-1,2-Dibromethylen；(E)-1,2-dibromoethylene；trans-1,2-dibromoethylene；trans-1,2-dibromoethene；trans-dibromoethylene；1,2-dibromo-ethylene；trans-Dibromethylen；1,2-Dibromoethylene
• CAS: 590-12-5；25429-23-6
• 化学式: C₂H₂Br₂
• 分子量: 185.846
• InChiKey: UWTUEMKLYAGTNQ-OWOJBTEDSA-N

物化性质

• 熔点：
  -6.5°C
• 沸点：
  120.76°C (estimate)
• 密度：
  2.2308
• 颜色/状态：
  Colorless liquid
• 溶解度：
  In water, 8,910 mg/l @ 25 °C
• 蒸汽压力：
  31 mm Hg @ 25 °C
• 稳定性/保质期：

  LIQUID, GRADUALLY DECOMPOSED BY AIR, MOISTURE, OR LIGHT

• 腐蚀性：
  Corrosive
• 折光率：
  Index of refraction: 1.5428 @ 20 °C/D
• 保留指数：
  730;738;744;756.2;756

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

毒理性

• 副作用

神经毒素 - 急性溶剂综合症 皮肤毒素 - 皮肤烧伤 催泪剂（催泪瓦斯）- 刺激眼睛并引起流泪的物质

Neurotoxin - Acute solvent syndrome Dermatotoxin - Skin burns. Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

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，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……。预期癫痫发作，并在必要时进行治疗……。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，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……。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。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水肿。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。 ... 使用地西泮（安定）治疗癫痫。使用丙美卡因氢氯化物协助眼部冲洗。 /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

/中枢神经系统抑制剂/ ... 在高浓度下。

/CNS DEPRESSANT/ ... IN HIGH CONCN.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

1,2-二溴乙烯是一种催泪剂。

1,2-Dibromoethylene is a lachrymator.

来源:Hazardous Substances Data Bank (HSDB)

制备方法与用途

类别：易燃液体
毒性分级：高毒
急性毒性（口服）：大鼠 LD50 为 62 毫克/公斤
可燃性危险特性：遇明火、高温或氧化剂时较易燃，具有催泪性，燃烧会产生有毒的溴化物烟雾
储运特性：应存放在通风、低温和干燥的库房中，并与氧化剂分开存放；不宜久存，以防聚合
灭火剂：干粉、干砂、二氧化碳、泡沫或 1211 灭火剂

反应信息

• 作为反应物：
  描述：

  1,2-二溴乙烯 生成 1,1-二溴-2-氯-2-氟乙烷
  参考文献：
  名称：

  BOGUSLAVSKAYA, L. S.;TERNOVSKOJ, L. A., ZH. ORGAN. XIMII, 1983, 19, N 9, 1881-1888

  摘要：

  DOI：
• 作为产物：
  描述：

  乙炔 在 溴 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以73%的产率得到1,2-二溴乙烯
  参考文献：
  名称：

  一种1,4-二氰基-2-丁烯的制备方法

  摘要：

  本发明公开了一种1,4‑二腈基丁烯的制备方法，属于有机化学领域。以乙炔为原料，与溴素经过两次加成后，再消除得到反式1,2‑二溴乙烯，随后在亚铜盐催化下，与三甲硅基乙腈偶联反应后得到1,4‑二氰基‑2‑丁烯。本发明合成中，避免了剧毒品氰化氢的使用，为该化合物的合成提供了一种新的方法。

  公开号：

  CN107602337B
• 作为试剂：
  描述：

  苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 1,2-二溴乙烯 、 二异丁基氢化铝 、 zinc(II) chloride 作用下， 生成 (E)-1,6-diphenyl-3-hexen-1,5-diyne
  参考文献：
  名称：

  Carbene-Carbene Interconversion between 1- and 3-Phenyl-2-propynylidenes

  摘要：

  1-Phenyl-3-diazopropyne (Id) and 3-phenyl-3-diazopropyne (2d) were prepared and photolyzed under various conditions. In ethanol at ambient temperatures, both 1d and 2d gave a 1:10 +/- 1 mixture of 1-phenyl-3-ethoxypropyne (3) and 3-phenyl-3-ethoxypropyne (4). The photolyses of matrix-isolated 1d and 2d at cryogenic temperatures were followed by EPR, IR, and UV-visible spectroscopy. EPR experiments in 2-methyltetrahydrofuran (MTHF), isopentane, and ethanol-d(6) matrices at 9 K showed spectra due to a mixture of the corresponding triplet carbenes 1c (\D/hc\ = 0.543 and \E/hc\ = 0.003 cm(-1)) and 2c (\D/hc\ = 0.526 and \E/hc\ = 0.010 cm(-1)). The ratio of the generated carbenes carried the memory of the starting diazo compounds; 1c and 2c were produced mainly from 1d and 2d, respectively. Carbene 2c isomerized to 1c at 70-90 K in MTHF and ethanol-d(6) and at 44-68 K in isopentane, indicating that 1c was thermodynamically more stable than 2c on the triplet ground-state potential energy surface. IR and UV-visible absorption experiments employing various media (argon, isopentane, N-2, CO/Ar, O-2/N-2, and O-2/Ar) revealed that the photolysis of 2d afforded mostly absorptions due to 2c. Photolysis of 1d produced similar spectra, due mainly to 2c, together with weak absorptions due to 1c. The different results observed in EPR and IR experiments were explained by the difference in the matrices in which the diazo groups were photolyzed. Calculations at the ab initio MP2/DZV(d) level of theory showed that the triplet ground state of 1c was more thermodynamically stable than 2c by 1.41 kcal/mol, in agreement with the experimental results. The situation is reversed in the singlet manifold, where 2c was computed to be much lower in energy than 1c. The energy differences (Delta E(ST)) between the singlet and triplet states were computed to be 15.7 and 11.0 kcal/mol for 1c and 2c, respectively, with the DZV(d) basis set.

  DOI：

  10.1021/ja00093a017

文献信息

• 유기발광 화합물 및 이를 포함하는 유기전계발광소자
  申请人：PnH tech (주)피엔에이치테크(120100135796) Corp. No ▼ 131111-0237931BRN ▼129-86-36614

  公开号：KR20150133097A

  公开（公告）日：2015-11-27

  본 발명은 유기전계발광소자에 채용되는 유기발광 화합물에 관한 것으로서, 하기 [화학식 1]로 표시되고, 하기 [구조식 1] 또는 [구조식 2]로 표시되는 치환체로 하나 이상 갖는 것을 특징으로 하고, 이를 정공수송 기능층 또는 발광층 내의 인광 호스트 화합물로 채용하는 경우 구동전압, 휘도 및 장수명 등의 발광특성이 우수한 유기전계발광소자를 구현할 수 있다. [화학식 1] [구조식 1] [구조식 2]

  本发明涉及用于有机电致发光器件的有机发光化合物，该化合物由下式[化学式1]表示，其特征在于具有以下[结构式1]或[结构式2]表示的一个或多个取代基，当其作为光传输功能层或发光层内的荧光主机化合物使用时，可以实现驱动电压，亮度和长寿命等发光性能优异的有机电致发光器件。[化学式1] [结构式1] [结构式2]
• Neuroactive steroids of the androstane and pregnane series
  申请人：CoCensys, Inc.

  公开号：US05925630A1

  公开（公告）日：1999-07-20

  The invention relates to 3.alpha.-hydroxy, 17-(un)substituted derivatives of the androstane series and 3.alpha.-hydroxy, 21-substituted derivatives of the pregnane series. These derivatives are capable of acting at a recently identified site on the GRC, thereby modulating brain excitability in a manner that will alleviate stress, anxiety, insomnia, mood disorders that are amenable to GRC-active agents (such as depression) and seizure activity. The steroid derivatives of this invention are those having the general structural Formula: ##STR1## wherein R, R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, R.sub.9 and R.sub.10 are further defined herein and the dotted lines are single or double bonds. The structure includes androstanes, pregnanes (R.sub.4 =methyl), 19-norandrostanes, and norpregnanes (R.sub.4 =H).

  该发明涉及雄烷系列的3α-羟基，17-(未)取代衍生物和孕烷系列的3α-羟基，21-取代衍生物。这些衍生物能够在GRC上的一个最近确定的位点发挥作用，从而调节大脑的兴奋性，以一种能够缓解压力、焦虑、失眠、情绪障碍（如抑郁症）和癫痫活动的方式。本发明的类固醇衍生物具有以下一般结构式：##STR1##其中R、R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8、R.sub.9和R.sub.10在此进一步定义，虚线表示单键或双键。该结构包括雄烷、孕烷（R.sub.4=methyl）、19-去雄雄烷和去孕烷（R.sub.4=H）。
• Methods of producing carboxylic acid ester derivatives and intermediates
  申请人：Fujirebio Inc.

  公开号：US05481009A1

  公开（公告）日：1996-01-02

  Methods of producing carboxylic acid ester derivatives of formulae (I) and (II), which are useful, for instance, as intermediates for producing an anti-hypercholesterolemic agent having an inhibitory effect on HMG-CoA Reductase: ##STR1## wherein R.sup.1 and R.sup.2 are independently a protective group for hydroxyl group, or R.sup.1 and R.sup.2 integrally constitute a protective group for hydroxyl groups; R.sup.3 is an alkyl group, or an aryl group; and R.sup.4 is a substituted aryl group, a substituted heterocyclic group, a substituted vinyl group, or a substituted cycloalkenyl group; and ##STR2## wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are respectively the same as defined in the above formula (I), are disclosed. In addition, intermediates for use in these methods of producing the carboxylic acid ester derivatives are disclosed.

  生产具有以下式(I)和(II)的羧酸酯衍生物的方法，例如，作为生产对HMG-CoA还原酶具有抑制作用的抗高胆固醇药物的中间体：##STR1## 其中R.sup.1和R.sup.2分别是羟基的保护基，或者R.sup.1和R.sup.2整体构成羟基的保护基；R.sup.3是烷基，或芳基；R.sup.4是取代芳基，取代杂环基，取代乙烯基，或取代环烯基；和##STR2## 其中R.sup.1，R.sup.2，R.sup.3和R.sup.4分别与上述式(I)中定义的相同，被揭示。此外，还揭示了用于这些生产羧酸酯衍生物的方法的中间体。
• HeI photoelectron spectra of unstable molecules: mono- and di-halogenoketenes
  作者：David Colbourne、Nicholas P. C. Westwood

  DOI：10.1039/p29850002049

  日期：——

  HeI Photoelectron spectra are reported for the mono- and di-chloro- and -bromo-ketenes (XHCCO and X2CCO, X Cl, Br) generated in high yield as unstable molecules from thermolysis of acid halides. The spectra are discussed and assigned by reference to the parent ketene molecule, orbital trends, and comparison with theoretical calculations.

  据报道，由于酰卤的热解，不稳定的分子以高收率产生了单氯乙烯和二氯乙烯和溴乙烯酮（XHC C O和X 2 C C O，X Cl，Br）的He I光电子能谱。通过参考母体乙烯酮分子，轨道趋势以及与理论计算的比较来讨论和分配光谱。
• Condensed thiazolopyrimidine, pyrimido-thiazine or thiazepine pyrimidine
  申请人：Egis Gyogyszergyar

  公开号：US04921854A1

  公开（公告）日：1990-05-01

  The compounds of the general formula I ##STR1## and pharmaceutically acceptable acid addition salts and hydrates thereof possess useful immunostimulant properties and can be used in therapy. In the general Formula I A stands for --CH.sub.2 --CH.sub.2 --, --CH.sub.2 --CH.sub.2 --CH.sub.2 --, --CH.sub.2 --CH.sub.2 --CH.sub.2 CH.sub.2 --or --CH.dbd.CH--; R.sub.4 is hydrogen, C.sub.1-4 alkyl or optionally substituted phenyl; r is 0, 1, 2, 3 or 4; R.sub.1 stands for hydrogen of C.sub.1-5 alkanoyl; R.sub.2 represents hydrogen, C.sub.1-5 alkanoyl or a group of the general formula (a) ##STR2## wherein R stands for hydrogen, C.sub.1-4 alkyl, C.sub.2-4 alkenyl, phenyl or phenyl-C.sub.1-3 alkyl and R.sub.3 stands for hydrogen. The compounds of the general Formula I can be prepared by reacting a 2-mercapto-4,6-diamino-pyrimidine of the general Formula II ##STR3## with a dihalo compound of the general Formula III ##STR4## (wherein Y and Z are halogen).

  通用式I的化合物及其药学上可接受的酸盐和水合物具有有用的免疫刺激性质，并可用于治疗。在通用式I中，A代表--CH.sub.2--CH.sub.2--, --CH.sub.2--CH.sub.2--CH.sub.2--, --CH.sub.2--CH.sub.2--CH.sub.2CH.sub.2--或--CH.dbd.CH--; R.sub.4为氢、C.sub.1-4烷基或可选择地取代的苯基；r为0、1、2、3或4；R.sub.1代表氢或C.sub.1-5烷酰基；R.sub.2代表氢、C.sub.1-5烷酰基或通用式(a)的基团 ##STR2## 其中R代表氢、C.sub.1-4烷基、C.sub.2-4烯基、苯基或苯基-C.sub.1-3烷基，R.sub.3代表氢。通用式I的化合物可通过将通用式II的2-巯基-4,6-二氨基嘧啶与通用式III的二卤化合物反应而制备（其中Y和Z为卤素）。

表征谱图