4-氯-2-甲基-5-(1-甲基肼基)-3(2H)-哒嗪酮 | 96017-23-1

• 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-2-甲基-5-(1-甲基肼基)-3(2H)-哒嗪酮
• 英文名称: 4-Chloro-2-methyl-5-(1-methylhydrazino)-3-(2H)-pyridazinone
• 英文别名: 4-chloro-2-methyl-5-(1-methylhydrazino)-3(2H)-pyridazinone；1-methyl-4-(1-methylhydrazino)-5-chloro-6-pyridazone；4-Chloro-2-methyl-5-(1-methylhydrazino)-2,3-dihydropyridazin-3-one；5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one
• CAS: 96017-23-1
• 化学式: C₆H₉ClN₄O
• mdl: MFCD00052906
• 分子量: 188.617
• InChiKey: UKPMAZBURJFXCB-UHFFFAOYSA-N

物化性质

• 熔点：
  131 °C
• 沸点：
  251.6±50.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2933990090

SDS

Name:	4-Chloro-2-methyl-5-(1-methylhydrazino)-2 3-dihydropyridazin-3-one Material Safety Data Sheet
Synonym:	4-Chloro-2-methyl-5-(1-methylhydrazino)-3-(2H)-pyridazinon
CAS:	96017-23-1

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

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
96017-23-1	4-Chloro-2-methyl-5-(1-methylhydrazino	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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.

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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# 96017-23-1: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 131 - 133 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: C6H9ClN4O
Molecular Weight: 188.62

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acid chlorides.
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# 96017-23-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-2-methyl-5-(1-methylhydrazino)-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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 96017-23-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 96017-23-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96017-23-1 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-2-甲基-5-(1-甲基肼基)-3(2H)-哒嗪酮 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 甲醇 为溶剂， 以66%的产率得到2-Methyl-5-(N-methyl-hydrazino)-2H-pyridazin-3-one
  参考文献：
  名称：

  3-烷硫基和3-氨基吡唑并[3,4- D ]哒嗪。哒嗪并[4,5- e ] [1,3,4]噻二嗪通过硫的挤出而收缩

  摘要：

  4-氯-2-甲基-5-（1-甲基肼基）-3（2 H）-哒嗪酮（1）与二硫化碳反应，然后烷基化，生成2-烷硫基-4 H-吡啶并[4,5- e ] [1,3,4]噻二嗪衍生物2。5-（4-取代的1-甲基硫代半碳杂多）-3（2 H）-哒嗪酮衍生物4与N-溴代琥珀酰亚胺的氧化环化反应也产生了2-取代的氨基-4 H-吡啶并[4,5- e ] [1,3， 4]噻二嗪衍生物5。加热2和5导致环收缩，得到相应的吡唑并[3,4- d硫哒嗪衍生物6、7 通过硫磺挤出。与一种哒嗪并[4,5- e ] [1,3,4]噻二嗪（2,5）和另一种哒嗪[ 9,11,13， 15）。

  DOI：

  10.1002/jhet.5570220140
• 作为产物：
  描述：

  4,6-二氯-2-乙基嘧啶 生成 4-氯-2-甲基-5-(1-甲基肼基)-3(2H)-哒嗪酮
  参考文献：
  名称：

  Triazolo[1,5-c]pyrimidines and bronchodilation use thereof

  摘要：

  在1,1-二氧硫代吗啡环上的一氮原子通过取代7位置的1,2,4-三唑并[1,5-c]嘧啶已被发现具有强效的支气管扩张剂活性。此外，还揭示了使用这些化合物的药理学方法和含有这些化合物的制药组合物。

  公开号：

  US04591588A1

文献信息

• Hydrazide and alkoxyamide angiogenesis inhibitors
  申请人：——

  公开号：US20020002152A1

  公开（公告）日：2002-01-03

  Compounds having the formula 1 are methionine aminopeptidase type 2 (MetAP2) inhibitors and are useful for inhibiting angiogenesis. Also disclosed are MetAP2-inhibiting compositions and methods of inhibiting angiogenesis in a mammal.

  具有以下化学式的化合物是蛋氨酸氨肽酶2型（MetAP2）抑制剂，对抑制血管生成有用。还公开了抑制MetAP2的组合物和在哺乳动物中抑制血管生成的方法。
• Nucleophilic substitution of chlorine with hydrazine and methylhydrazine in chlorinated pyridazines and pyridazones
  作者：A. B. Baranov、V. G. Tsypin、A. S. Malin、B. M. Laskin

  DOI：10.1007/s11167-005-0207-1

  日期：2004.12

  The reactions of methylhydrazine and hydrazine hydrate with chlorinated pyridazines and pyridazones were studied.

  研究了甲基肼和水合肼与氯化哒嗪和哒嗪酮的反应。
• The synthesis of pyrazolo[3,4-<i>d</i>]pyridazines. Photochemical cyclization to pyrazolo[3,4-<i>d</i>]pyridazin-4(5<i>H</i>)-ones with subsequent functionalization
  作者：Kenji Kaji、Hiromu Nagashima、Yusho Ohta、Keizo Tabashi、Hirohisa Oda

  DOI：10.1002/jhet.5570210501

  日期：1984.9

  The synthesis of 1,3-disubstituted and 1,3,5-trisubstituted 1H-pyrazolo[3,4-d]pyridazin-4(5H)-ones is conveniently performed by photochemical cyclization. Functionalization of the former compounds leading to the formation of 1,4-disubstituted and 1,3,4-trisubstituted 1H-pyrazolo[3,4-d]pyridazines is smoothly effected through pertinent nucleophilic substitutions.

  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。
• [EN] HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS<br/>[FR] INHIBITEURS D'ANGIOGENESE A BASE D'HYDRAZIDE ET D'ALCOXYAMIDE
  申请人：ABBOTT LAB

  公开号：WO2001079157A1

  公开（公告）日：2001-10-25

  Compounds having the formula are methionine aminopeptidase type 2 (MetAP2) inhibitors and are useful for inhibiting angiogenesis. Also disclosed are MetAP2-inhibiting compositions and methods of inhibiting angiogenesis in a mammal.

  具有公式的化合物是蛋氨酸氨肽酶2型（MetAP2）抑制剂，并且对于抑制血管生成具有用处。还披露了MetAP2抑制剂组合物和在哺乳动物中抑制血管生成的方法。
• Triazolo[1,5-c]pyrimidines and bronchodilation use thereof
  申请人：Riker Laboratories, Inc.

  公开号：US04591588A1

  公开（公告）日：1986-05-27

  1,2,4-Triazolo[1,5-c]pyrimidines substituted at the 7 position through a nitrogen atom which is part of a 1-oxo- or 1,1-dioxothiomorpholine ring have been found to have potent bronchodilator activity. Pharmacological methods of using these compounds and pharmaceutical compositions containing these compounds are also disclosed.

  在1,1-二氧硫代吗啡环上的一氮原子通过取代7位置的1,2,4-三唑并[1,5-c]嘧啶已被发现具有强效的支气管扩张剂活性。此外，还揭示了使用这些化合物的药理学方法和含有这些化合物的制药组合物。