4,4'-氧代双苯磺酰肼 | 80-51-3

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4,4'-氧代双苯磺酰肼
• 中文别名: OBSH发泡剂；4,4'-氧联苯二磺酸酰肼；P,P'-氧化双(苯磺酰肼)；预分散OBSH-75；二-(苯磺酰肼)醚；4,4’-氧代双苯磺酰肼；二苯醚二磺酰肼；母胶粒OBSH-75；发泡剂OBSH；对,对-氧双苯磺酰肼；二苯磺酰肼基醚；P,P'-磺酰肼基二苯醚；低温发泡剂OBSH；P,P-氧代双苯磺酰肼；发泡剂OB；4,4'-苯醚二磺酰肼；P,P`-磺酰肼基二苯醚；4,4-氧代双苯磺酰肼；4,4"-氧代双苯磺酰肼；OBSH；OBSH/OT
• 英文名称: diphenylether-4,4'-disulfonyl hydrazide
• 英文别名: 4,4'-oxydibenzenesulfonohydrazide；OBSH；4,4'-oxy-bis-benzenesulfonic acid dihydrazide；4,4'-Oxy-bis-benzolsulfonsaeure-dihydrazid；4,4'-oxydi(benzenesulfonohydrazide)；4,4'-oxydibenzenesulfonyl hydrazide；4,4'-Oxybis(benzenesulfonyl hydrazide)；4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
• CAS: 80-51-3
• 化学式: C₁₂H₁₄N₄O₅S₂
• mdl: MFCD00007587
• 分子量: 358.399
• InChiKey: NBOCQTNZUPTTEI-UHFFFAOYSA-N

物化性质

• 熔点：
  160-161 °C (dec.)(lit.)
• 沸点：
  590.0±60.0 °C(Predicted)
• 密度：
  1.4940 (rough estimate)
• 溶解度：
  DMSO（微溶、超声处理）、甲醇（微溶、加热、超声处理）
• 暴露限值：
  ACGIH: TWA 0.1 mg/m3
• LogP：
  0.08
• 物理描述：
  Diphenyloxide-4,4'-disulfonyl hydrazide appears as a colorless, crystalline solid with a geranium-like odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Moderately toxic by ingestion, inhalation and skin absorption. Readily ignited by sparks or flames and burns intensely and persistently.
• 颜色/状态：
  Fine white crystalline powder
• 气味：
  Odorless
• 蒸汽压力：
  6.91X10-11 mm Hg at 25 °C (est)
• 分解：
  Decomposes below boiling point at 140-160 °C.

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  170
• 氢给体数：
  4
• 氢受体数：
  9

ADMET

毒理性

• 副作用

生殖毒素 - 对生殖系统有毒性的化学物质，包括对后代造成缺陷以及对男性或女性生殖功能的损害。生殖毒性包括发育效应。参见生殖毒性风险评估指南。

Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.

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

毒理性

• 解毒与急救

/SRP:/ 紧急急救：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，按训练进行操作。根据需要进行心肺复苏。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。 /有机酸及相关化合物/

/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. /Organic acids and related compounds/

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。观察呼吸不足的迹象，如有必要，辅助呼吸。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……。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）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、有强烈的呕吐反射且不流口水，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。活性炭无效……。不要尝试中和，因为可能会发生放热反应。在去污后，用干燥、无菌的敷料覆盖皮肤烧伤……。/有机酸及其相关化合物/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations 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 ... . 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 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、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。在上呼吸道阻塞的最初迹象出现时，可能需要尽早进行插管。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受体激动剂，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）/SRP: "保持开放"，最小流量/。如果出现低血容量的迹象，使用0.9%盐水（NS）或乳酸钠林格液（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时低血压，考虑使用血管收缩剂。注意液体过载的迹象……。使用丙美卡因氢氯化物协助眼部冲洗……。/有机酸及相关化合物/

/SRP:/ 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. 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. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . 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 ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

/遗传毒性/ 测试物质在有无大鼠肝脏匀浆代谢活化系统的情况下，对原代人类淋巴细胞诱导染色体畸变的能力进行了评估。测试样品在以下浓度下进行了测试：纯品以及1:2、1:4、1:8、1:16、1:32和1:64的稀释液。选择的用于活化分析的浓度是纯品以及1:2和1:4的测试提取物稀释液。结果表明，测试物质在活化系统和非活化系统中均未引起染色体畸变数量的统计学显著增加（p < 0.05）。此外，在活化系统和非活化系统的畸变数量中均未检测到可辨别的剂量反应，验证了测试系统的有效性。总之，测试物质未在原代培养的人类淋巴细胞中诱导畸变，因此被认为是非致裂变的。

/GENOTOXICITY/ The test substance was evaluated for its ability to induce chromosomal aberrations in primary human lymphocyte cells in the presence and absence of a rat liver homogenate metabolic activation system. The test article was tested at the following concentrations: Neat and 1:2, 1:4, 1:8, 1:16, 1:32, and 1:64 dilutions of the neat extract. The concentrations chosen to be scored for the activated assay were neat and 1:2 and 1:4 dilutions of the test extract. The results indicate that the test substance did not cause a statistically significant increase in the number of chromosome aberrations (p < 0.05). This was observed for both activated and non-activated system. In addition, there was no detectable dose response in the number of aberrations of both activated and non-activated systems, verifying the validy of the test system. In conclusion, the test substance did not induce aberrations in primary cultured human lymphocytes and is considered non-clastogenic.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• TSCA：
  Yes
• 危险等级：
  4.1
• 安全说明：
  S26,S37/39
• WGK Germany：
  3
• 危险品标志：
  Xi
• 危险类别码：
  R44,R36/37/38,R11
• 危险品运输编号：
  25kg
• RTECS号：
  DB7321000

制备方法与用途

用途：适用于生产常压发泡或压胀的弹性体和热塑性产品等。

反应信息

• 作为反应物：
  描述：

  4,4'-氧代双苯磺酰肼 在 盐酸 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 以96%的产率得到氨基7-[二(2-氯乙基)氨基]四醛英-2-羧酸酯
  参考文献：
  名称：

  二苯醚类磺酰叠氮化合物的制备方法

  摘要：

  二苯醚类磺酰叠氮化合物的制备方法，以二苯醚磺酰肼类化合物（Ⅰ）为原料，将亚硝酸钠水溶液滴加入溶解有所述原料的醇‑酸溶液体系中反应后，直接得到所述二苯醚类磺酰叠氮化合物（Ⅱ）目标产物。所述醇‑酸溶液体系中的醇为Ｃ1‑4醇中的至少一种，酸为盐酸、硫酸、磷酸、甲酸、乙酸、丙酸中的至少一种。本发明的方法避免了目前使用剧毒的叠氮化钠，以及需使用大量高沸点有机酸和产生大量废酸水等缺点，且由于是均相反应，具有反应速度快，收率高，低沸点的醇类溶剂易于回收套用等显著优点。

  公开号：

  CN105130856B
• 作为产物：
  描述：

  4,4'-苯基醚二磺酸 在 肼羧酸 作用下， 以 neat (no solvent) 为溶剂， 反应 5.0h， 以97%的产率得到4,4'-氧代双苯磺酰肼
  参考文献：
  名称：

  하이드라자이드의 제조 방법

  摘要：

  这是关于制备氢化物的方法，具体来说，是关于通过有机酸或磺酸化合物与氢化胺-二氧化碳复合物反应制备氢化物衍生物化合物的方法。

  公开号：

  KR20150088523A

文献信息

• Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation
  申请人：Maas Wiebke

  公开号：US20070213436A1

  公开（公告）日：2007-09-13

  The invention relates to mixtures composed of monocarboxy-functionalized dialkylphosphinic acids and of further components, which comprise A) from 98 to 100% by weight of monocarboxy-functionalized dialkylphosphinic acids of the formula (I) in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are identical or different and, independently of one another, are H, methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, and/or phenyl, X and Y are identical or different and, independently of one another, are H, Li, Na, K, or NH 4 , and B) from 0 to 2% by weight of halogens, where the entirety of the components always amounts to 100% by weight.

  该发明涉及由单羧基功能化二烷基膦酸和进一步组分组成的混合物，其中包括 A) 公式（I）中的单羧基功能化二烷基膦酸，其占98至100重量％ 其中R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，R 6 和R 7 相同或不同，并且彼此独立地为H，甲基，乙基，正丙基，异丙基，正丁基，异丁基，叔丁基和/或苯基， X和Y相同或不同，并且彼此独立地为H，Li，Na，K或NH 4 ， 和 B) 卤素，其占0至2重量％， 其中所有组分的总和始终为100重量％。
• ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME
  申请人：NOF CORPORATION

  公开号：EP1233014A1

  公开（公告）日：2002-08-21

  A crosslinking agent comprising an asymmetry organic peroxide having at least one structure unit of (substituted)benzoylcarbonyloxy group represented by the following formula (1) in the molecule thereof. Environmentally friendly crosslinking agents and crosslinked silicone rubber moldings are provided thereby. Specifically, useful crosslinking agents and crosslinking processes for silicone rubber are provided.

  一种交联剂，包括至少具有分子中表示为以下式（1）的（取代）苯甲酰羰氧基结构单元的不对称有机过氧化物。因此提供了环保的交联剂和交联硅橡胶成型品。具体提供了用于硅橡胶的有用交联剂和交联工艺。
• Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components
  申请人：Maas Wiebke

  公开号：US20070210288A1

  公开（公告）日：2007-09-13

  The invention relates to mixtures composed of dialkylphosphinic esters and of further components, which comprise A) from 98 to 100% by weight of monocarboxy-functionalized dialkylphosphinic esters of the formula (I) in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are identical or different and, independently of one another, are H, methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, and/or phenyl, Y is methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, phenyl, 2-hydroxyethyl, 2,3-dihydroxypropyl, 2-hydroxypropyl, 3-hydroxypropyl, 4-hydroxybutyl, 3-hydroxybutyl, 2-hydroxybutyl, and/or 6-hydroxyhexyl, allyl, and/or glycerol, X is H, Li, Na, K or NH 4 , or X is defined as for Y, and then X and Y are two identical radicals or two different radicals of the above organic radicals, and B) from 0 to 2% by weight of halogens, where the entirety of the components always amounts to 100% by weight.

  该发明涉及由二烷基膦酸酯和进一步组分组成的混合物，其中包括A) 公式（I）的单羧基功能化二烷基膦酸酯，其占98至100重量％，其中R1、R2、R3、R4、R5、R6和R7相同或不同，并且独立地为H、甲基、乙基、正丙基、异丙基、正丁基、异丁基、叔丁基和/或苯基，Y为甲基、乙基、正丙基、异丙基、正丁基、异丁基、叔丁基、苯基、2-羟乙基、2,3-二羟基丙基、2-羟基丙基、3-羟基丙基、4-羟基丁基、3-羟基丁基、2-羟基丁基和/或6-羟基己基、烯丙基和/或甘油，X为H、Li、Na、K或NH4，或者X如Y所定义，然后X和Y是上述有机基团的两个相同基团或两个不同基团，以及B) 卤素，其占0至2重量％，其中所有组分的总和始终为100重量％。
• Silylated polycarbonate polymers, method of making, and articles
  申请人：Lens Jan Pleun

  公开号：US20080306294A1

  公开（公告）日：2008-12-11

  A silylated dihydroxy aromatic compound of the formula (1a); wherein G a and G b are each independently C 1-12 alkyl, —OSi(C 1-12 alkyl) 3 , C 1-12 arylalkyl, or —OSi(C 1-12 arylalkyl) 3 ; Z a and Z b are each independently a straight or branched C 2-18 alkylene, a C 8-18 arylalkylene, or a C 8-18 alkylarylene, X a is a direct bond, a heteroatom-containing group, or a C 1-18 organic group, and r and s are each independently 1 or 2 is disclosed.

  一种具有式(1a)的硅烷化二羟基芳香族化合物；其中Ga和Gb各自独立地为C1-12烷基、—OSi(C1-12烷基)3、C1-12芳基烷基或—OSi(C1-12芳基烷基)3；Za和Zb各自独立地为直链或支链的C2-18亚烷基、C8-18芳基亚烷基或C8-18烷基芳基亚烷基，Xa为直接键、含杂原子基团或C1-18有机基团，且r和s各自独立地为1或2。
• Sulphonhydrazides and related compounds. Part VII. Some substituted sulphanilyl hydrazides
  作者：R. J. W. Cremlyn

  DOI：10.1039/j39670000077

  日期：——

  In a search for new pest-control agents, the following substituted sulphanilyl hydrazides have been prepared: 2- and 3-chloro; 2,5- and 3,5-dichloro; 3-nitro; 3,5-dinitro and 2,5-dimethoxy. Diphenyl ether 4,4′-bis-sulphonhydrazide and the 4-bromodiphenyl ether 4′-sulphonhydrazide are also described. The hydrazides have been converted into a number of derivatives (e.g., hydrazones, azides). A brief

  为了寻找新的害虫防治剂，已经制备了以下取代的磺酰苯胺酰肼：2-和3-氯；2,5-和3,5-二氯; 3-硝基; 3，5-二硝基和2，5-二甲氧基。还描述了二苯醚4,4'-双磺酰肼和4-溴二苯醚4'-磺酰肼。酰肼已经被转化为许多衍生物（例如，酰肼，叠氮化物）。简要介绍了氯磺化的相对容易程度和方向。