6-氯四唑并[1,5-b]吡嗪 | 21413-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-氯四唑并[1,5-b]吡嗪
• 英文名称: 6-chloro-1,2,3,4-tetrazolo<1,5-b>pyridazine
• 英文别名: 6-chlorotetrazolo(1,5-b)-pyridazine；3-Chloro-tetrazolo<1,5-b>pyridazine；6-chloro-tetrazolo<1,5-b>pyridazine；6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine；6-chlorotetrazolo[1,5-b]pyridazine；6-Chlorotetrazolo[4,5-b]pyridazine
• CAS: 21413-15-0
• 化学式: C₄H₂ClN₅
• mdl: MFCD00462761
• 分子量: 155.546
• InChiKey: RRBQGBYFXZPPAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Chlorotetrazolo[1,5-b]pyridazine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Chlorotetrazolo[1,5-b]pyridazine
CAS number: 21413-15-0

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C4H2ClN5
Molecular weight: 155.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-氯四唑并[1,5-b]吡嗪 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以90%的产率得到6-hydrazinotetrazolo[1,2-b]pyridazine
  参考文献：
  名称：

  一种治疗心力衰竭的药物组合物及其制备方法和用途

  摘要：

  本发明涉及一种治疗心力衰竭的药物组合物，所述药物组合物包含具有下列结构的化合物和药学上常用的辅助成分：本发明还涉及该药物组合物的制备方法和用途。该药物组合物对心脑血管系统的药理作用主要表现在强心、保护心肌细胞、调整血压、调节血管舒缩功能、抗凝血、抗血栓形成、降血脂、抗动脉粥样硬化和改善脑循环等方面；通过增强心肌舒缩功能，降低外周阻力，不断改善心衰程度，从而对心衰起到治疗作用。

  公开号：

  CN108498512A
• 作为产物：
  描述：

  3-氯-6-肼基哒嗪 在 氢气 、 sodium nitrite 作用下， 生成 6-氯四唑并[1,5-b]吡嗪
  参考文献：
  名称：

  氯哒嗪叠氮化物和亚氨基正膦衍生物结构和互变异构的多核磁共振研究

  摘要：

  通过核磁共振测量合成并研究了 3,6-二氯和 3,4,5,6-四氯哒嗪的一些叠氮基和亚氨基正膦衍生物。根据含有叠氮化物基团的化合物的多核数据（化学位移、偶联常数），即使在酸性条件下，也无法观察到潜在的四唑-叠氮化物平衡。通过对两种新合成的含有叠氮基和亚氨基正膦基团的化合物的 NMR 测量，证明了在与肼反应中四氯哒嗪的氯原子（在 4 位）发生了不寻常的取代。使用多核磁共振数据，确定了氯哒嗪的叠氮基和亚氨基正膦衍生物的乙基化和质子化位点。在四唑并哒嗪的情况下，乙基化发生在 N1' 和 N2' 原子上，而对于单环化合物，它发生在哒嗪环的 N1 和/或 N2 原子上。优选的质子化位点是四唑环的N1'原子和哒嗪环的N1原子。此外，6-(3-氰基-1-三氮杂)四唑并[1,5-b]哒嗪及其酰氨基衍生物钾盐的结构是利用核磁共振数据，特别是15N核磁共振化学位移建立的。版权所有 © 2002 John Wiley

  DOI：

  10.1002/mrc.1055

文献信息

• 7-[.alpha.-(2-Aminomethyl-1-cyclohexenyl)-acetamido]-3-heterocyclic
  申请人：Bristol-Myers Company

  公开号：US03946000A1

  公开（公告）日：1976-03-23

  7-[.alpha.-(2-Aminomethyl-1-cyclohexyl)-acetamido]-3-heterocyclic thiomethyl-3-cephem-4-carboxylic acids, and their nontoxic, pharmaceutically acceptable salts and their Schiff bases, as made by reaction of salicylaldehyde with the free amino group, are valuable as antibacterial agents and are particularly valuable as therapeutic agents in poultry and animals, including man, in the treatment of infectious diseases caused by many Gram-positive and Gram-negative bacteria.

  7-α-(2-氨甲基-1-环己基)-乙酰胺基-3-杂环硫甲基-3-头孢基-4-羧酸及其无毒、药学上可接受的盐和其席夫碱，是由水杨醛与游离氨基团反应制备的，作为抗菌剂具有重要价值，特别在家禽和动物，包括人类身上，用于治疗由多种革兰氏阳性和革兰氏阴性细菌引起的传染病。
• 6-(Substituted phenoxy)tetrazolo(1,5-b)pyridazines and a method of use
  申请人：The Dow Chemical Company

  公开号：US03961059A1

  公开（公告）日：1976-06-01

  Disclosed are novel 6-(substituted phenoxy)-tetrazolo(1,5-b)pyridazine compounds and methods employing the same for protecting plants from soil-borne disease both prior to infection and after infection by systemically killing and controlling the disease organisms.

  本文披露了一种新型的6-(取代苯氧基)-四氮唑(1,5-b)吡啶嗪化合物，以及利用这些化合物保护植物免受土传病害的方法，无论是在感染前还是感染后，通过系统性地杀灭和控制病原体来实现。
• 一种治疗心力衰竭的药物组合物及其制备方法和用途
  申请人：于志国

  公开号：CN108498512A

  公开（公告）日：2018-09-07

  本发明涉及一种治疗心力衰竭的药物组合物，所述药物组合物包含具有下列结构的化合物和药学上常用的辅助成分：本发明还涉及该药物组合物的制备方法和用途。该药物组合物对心脑血管系统的药理作用主要表现在强心、保护心肌细胞、调整血压、调节血管舒缩功能、抗凝血、抗血栓形成、降血脂、抗动脉粥样硬化和改善脑循环等方面；通过增强心肌舒缩功能，降低外周阻力，不断改善心衰程度，从而对心衰起到治疗作用。
• 7-(D-.
  申请人：Bristol-Myers Company

  公开号：US03985738A1

  公开（公告）日：1976-10-12

  7-(D-.alpha.-Hydroxy-2-arylacetamido)-3-(tetrazolo-[4,5-b]pyridazin-6-ylthi omethyl)-3-cephem-4-carboxylic acids and their nontoxic, pharmaceutically acceptable salts are valuable as antibacterial agents and are particularly valuable as therapeutic agents in poultry and animals, including man, in the treatment of infectious diseases caused by many Gram-positive and Gram-negative bacteria.

  7-(D-.alpha.-羟基-2-芳基乙酰胺基)-3-(四唑-[4,5-b]吡啶嗪-6-基硫甲基)-3-头孢烷-4-羧酸及其无毒、药学上可接受的盐，是一种有价值的抗菌剂，特别是在家禽和动物，包括人类，治疗由许多革兰氏阳性和阴性细菌引起的传染病时，具有特殊的价值。
• 1,3-Dipolar cycloadditions of diazoalkanes to some nitrogen containing heteroaromatic systems
  作者：Branko Stanovnik

  DOI：10.1016/s0040-4020(01)96025-9

  日期：1991.5

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