4-氯-5-肼-2-苯基-2，3-二氢吡嗪-3-酮 | 1210-32-8

• 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: 4-氯-5-肼-2-苯基-2，3-二氢吡嗪-3-酮
• 中文别名: 4-氯-5-肼基-2-苯基-2,3-二氢哒嗪-3-酮
• 英文名称: 4-Chloro-5-hydrazino-2-phenyl-3(2H)-pyridazinone
• 英文别名: 2-phenyl-4-chloro-5-hydrazinopyridazin-3-one；4-chloro-5-hydrazino-2-phenyl-2H-pyridazin-3-one；4-Chlor-5-hydrazino-2-phenyl-3-pyridazon；4-chloro-5-hydrazinyl-2-phenylpyridazin-3-one
• CAS: 1210-32-8
• 化学式: C₁₀H₉ClN₄O
• mdl: MFCD00084955
• 分子量: 236.661
• InChiKey: IQWBJSGIFJQBLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 安全说明：
  S26,S37/39

SDS

Name:	4-Chloro-5-hydrazino-2-phenyl-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet
Synonym:	4-Chloro-5-hydrazino-2-phenyl-3(2H)-pyridazinon
CAS:	1210-32-8

Section 1 - Chemical Product MSDS Name:4-Chloro-5-hydrazino-2-phenyl-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet
Synonym:4-Chloro-5-hydrazino-2-phenyl-3(2H)-pyridazinon

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1210-32-8	4-Chloro-5-hydrazino-2-phenyl-2,3-dihy	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1210-32-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 169 - 171 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H9ClN4O
Molecular Weight: 237

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1210-32-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-5-hydrazino-2-phenyl-2,3-dihydropyridazin-3-one - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1210-32-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1210-32-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1210-32-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯-5-肼-2-苯基-2，3-二氢吡嗪-3-酮 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 13.0h， 生成 1-Benzyl-5,3-diphenyl-pyrazolo<3,4-d>pyridazin-4<5H>-on
  参考文献：
  名称：

  吡唑并[3,4- d ]哒嗪的合成。光化学环化为吡唑并[3,4- d ]哒嗪-4（5 H）-并随后进行官能化

  摘要：

  通过光化学环化方便地进行1，3-二取代和1，3，5-三取代的1 H-吡唑并[3，4- d ]哒嗪-4（5 H）-one的合成。通过相关的亲核取代，可以平稳地实现导致形成1,4-二取代和1,3,4-三取代的1 H-吡唑并[3,4- d ]哒嗪的前一化合物的功能化。

  DOI：

  10.1002/jhet.5570210501
• 作为产物：
  描述：

  1-苯基-4,5-二氯-6-哒酮 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以75%的产率得到4-氯-5-肼-2-苯基-2，3-二氢吡嗪-3-酮
  参考文献：
  名称：

  4,5-二氯哒嗪-3-酮通过水合肼还原的新型实用胺化

  摘要：

  一种新颖而简单的方案：4,5-二氯哒嗪酮的直接胺化可以在温和条件下在水合肼中进行。4-Chloro-5-hydrazinopyridazin-3-ones 作为该还原反应的关键中间体。

  DOI：

  10.1246/cl.2001.54

文献信息

• Synthesis, spectroscopy, X-ray analysis and in vitro antiproliferative effect of ferrocenylmethylene-hydrazinylpyridazin-3(2H)-ones and related ferroceno[d]pyridazin-1(2H)-ones
  作者：D. Csókás、I. Zupkó、B.I. Károlyi、L. Drahos、T. Holczbauer、A. Palló、M. Czugler、A. Csámpai

  DOI：10.1016/j.jorganchem.2013.06.040

  日期：2013.10

  Synthesis, structure determination and in vitro antiproliferative assay of a series of novel ferrocenenyl hydrazones containing 4-halopyridazin-3(2H)-one fragment(s) and three representative N-aryl-substituted (Sp)-ferroceno[d]pyridazinones are presented. The model compounds can be considered as different assemblies of the potential binding sites capable of establishing interactions including hydrogen

  一系列新型的含4-卤代哒嗪-3（2 H）-片段和三个代表性的N-芳基取代的（S p）-二茂铁[ d ]吡嗪酮的二茂铁烯的合成，结构测定和体外抗增殖测定被提出。可以将模型化合物视为潜在结合位点的不同组件，这些结合位点能够建立包括氢键和与生物分子相关残基的π-π相互作用在内的相互作用。通过3-（4,5-二甲基噻唑-2-基）-2,5-二苯基四唑溴化物（MTT）分析研究了它们对四种肿瘤细胞系的体外抗增殖作用。我们的数据表明带有N-苄基取代基的1，1'-二甲酰基二茂铁的双-和氯哒嗪基取代的二茂铁[ d ]哒嗪酮在所研究的每种细胞系上均显示出显着活性。后一种候选药物和一种N-苄基单hydr在A2870细胞系上的效率与顺铂相当。通过1 H，13 C和15 N NMR方法确定模型化合物的组成和相对构型。通过单晶X射线衍射确认了含有4-溴哒嗪酮单元的单-和双-二茂铁hydr的结构。
• Steiner,G., Justus Liebigs Annalen der Chemie, 1978, p. 643 - 657
  作者：Steiner,G.

  DOI：——

  日期：——
• Kaji, Kenji; Nagashima, Hiromu; Ohta, Yusho, Heterocycles, 1984, vol. 22, # 3, p. 479 - 484
  作者：Kaji, Kenji、Nagashima, Hiromu、Ohta, Yusho、Nagao, Sigeto、Hirose, Yoshihiko、Oda, Hirohisa

  DOI：——

  日期：——
• KAJI, KENJI;NAGASHIMA, HIROMU;OHTA, YUSHO;TABASHI, KEIZO;ODA, HIROHISA, J. HETEROCYCL. CHEM., 1984, 21, N 5, 1249-1255
  作者：KAJI, KENJI、NAGASHIMA, HIROMU、OHTA, YUSHO、TABASHI, KEIZO、ODA, HIROHISA

  DOI：——

  日期：——
• A Novel and Practical Amination of 4,5-Dichloropyridazin-3-ones via Reduction with Hydrazine Hydrate
  作者：Song Cao、Xuhong Qian、Gonghua Song、Xiayu Huang

  DOI：10.1246/cl.2001.54

  日期：2001.1

  A novel and simple protocol: the direct amination of 4,5-dichloropyridazinones can be carried out in hydrazine hydrate under mild conditions. 4-Chloro-5-hydrazinopyridazin-3-ones serves as a key intermediate in this reduction.

  一种新颖而简单的方案：4,5-二氯哒嗪酮的直接胺化可以在温和条件下在水合肼中进行。4-Chloro-5-hydrazinopyridazin-3-ones 作为该还原反应的关键中间体。