2-肼基-1,3-苯并噁唑 | 15062-88-1

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 2-肼基-1,3-苯并噁唑
• 中文别名: 2-肼基-1,3-苯并恶唑；2-肼基苯并[d]恶唑
• 英文名称: 2-hydrazino-1,3-benzoxazole
• 英文别名: 2-hydrazinobenzoxazole；2-hydrazinylbenzo[d]oxazole；2-hydrazineylbenzo[d]oxazole；2‐hydrazinylbenzo[d]oxazole；1,3-benzoxazol-2-ylhydrazine
• CAS: 15062-88-1
• 化学式: C₇H₇N₃O
• mdl: MFCD00085913
• 分子量: 149.152
• InChiKey: QITJGSMHKVXOFR-UHFFFAOYSA-N

物化性质

• 熔点：
  >136°C (dec.)
• 溶解度：
  可溶于氯仿（少量）、DMSO（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 海关编码：
  2934999090
• 危险类别：
  IRRITANT
• 安全说明：
  S22
• 包装等级：
  III
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P310+P330,P302+P352+P312,P304+P340+P312,P305+P351+P338,P337+P313,P363,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H312+H332,H319
• 储存条件：
  -20°C下保存，需避光且在惰性气体中进行。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Hydrazino-1,3-benzoxazole
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: 2-Hydrazino-1,3-benzoxazole
CAS number: 15062-88-1

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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.
Storage: Store in closed vessels, under −20◦C.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H7N3O
Molecular weight: 149.2

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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.

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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

制备方法与用途

概述

2-肼基-1,3-苯并恶唑可通过2-氯苯并恶唑与水合肼反应得到，主要用于制备一类吡唑化合物。

用途

2-肼基-1,3-苯并恶唑是一种杂环类有机物，可用作有机中间体。

反应信息

• 作为反应物：
  描述：

  2-肼基-1,3-苯并噁唑 在 偶氮苯 作用下， 以88%的产率得到苯并恶唑
  参考文献：
  名称：

  Walther reaction in the benzazoles series and preparation of their 2-deutero derivatives

  摘要：

  Reactions of 2-hydrazino-substituted 1-methylbenzimidazole, benzothiazole, and benzoxazole with azobenzene at 160-180 degrees C resulted in hydrazino group elimination and formation of the corresponding 2-H-benzazoles. Under similar conditions the 2-deuterohydrazinobenzazoles prepared from 2-hydrazinobenzazoles and heavy water were converted into 2-deuterobenzazoles.

  DOI：

  10.1134/s107042800212014x
• 作为产物：
  描述：

  2-巯基苯并恶唑 在 五氯化磷 、 一水合肼 作用下， 以 苯 为溶剂， 反应 2.5h， 生成 2-肼基-1,3-苯并噁唑
  参考文献：
  名称：

  n-(硫)磷酰基-n?-2-苯并恶唑氨基脲的合成

  摘要：

  我们通过 2-肼苯并恶唑与异硫氰酸根合（硫代）磷酸盐的加成反应制备了带有（硫代）磷酰基部分的苯并恶唑衍生物，并通过元素分析和 1 H NMR 和 IR 光谱数据表征了它们的结构。从生物活性筛选结果，我们发现这些化合物具有一定的除草和植物生长调节活性，特别是对隐匿柄锈菌具有良好的杀菌活性。© 2001 John Wiley & Sons, Inc. 杂原子化学 12:151–155, 2001

  DOI：

  10.1002/hc.1024
• 作为试剂：
  描述：

  乙酰丙酮 在 盐酸 、 2-肼基-1,3-苯并噁唑 、