4-甲基-1,3-二氮杂环己烷-2-酮 | 2224-20-6

• 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-甲基-1,3-二氮杂环己烷-2-酮
• 英文名称: 4-Methyl-tetrahydro-pyrimidin-2-on
• 英文别名: 4-methyl-tetrahydro-pyrimidin-2-one；4-Methyl-1,3-diazinan-2-one
• CAS: 2224-20-6
• 化学式: C₅H₁₀N₂O
• mdl: MFCD18430701
• 分子量: 114.147
• InChiKey: GOFSQILFNXDGTD-UHFFFAOYSA-N

物化性质

• 熔点：
  206 °C
• 沸点：
  314.9±11.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

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: 4-Methyl-1,3-diazinan-2-one
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: 4-Methyl-1,3-diazinan-2-one
CAS number: 2224-20-6

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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: C5H10N2O
Molecular weight: 114.1

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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

反应信息

• 作为反应物：
  描述：

  4-甲基-1,3-二氮杂环己烷-2-酮 、 癸二酸 生成 1,8-bis-(4-methyl-1,4,5,6-tetrahydro-pyrimidin-2-yl)-octane
  参考文献：
  名称：

  DE686034

  摘要：

  公开号：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 4-甲基-1,3-二氮杂环己烷-2-酮
  参考文献：
  名称：

  A Hungarian example for handsearching specialized national healthcare journals of small countries for controlled trials. Is it worth the trouble?

  摘要：

  AbstractThe objective of this study was to determine whether a Hungarian language journal of clinical neuroscience, which is not indexed in medline, contains any reports of randomized or quasi‐randomized clinical trials that are not also reported in medline‐indexed publications. A cover‐to‐cover handsearch was performed of the journal Clinical Neuroscience/Ideggyógyászati Szemle, the official journal of Hungarian societies of neurology, neurosurgery, psychiatry and related clinical neurosciences, from its first volume in 1950 to the end of 1998; and a search of medline for other reports of the trials identified. Clinical trials in which patients were allocated to interventions by randomized, quasi‐randomized or possibly randomized means were identified. Controlled trials were tabulated and coded as randomized controlled trials or controlled clinical trials according to the definitions of the Handsearch Manual of the Cochrane Collaboration. We identified three randomized and eight quasi‐randomized trials. Six of the 11 trials were not reported in medline indexed publications.In conclusion, to obtain a comprehensive controlled trials register, specialized healthcare journals printed in small numbers in the national languages of small countries should be searched.

  DOI：

  10.1046/j.1365-2532.2000.00280.x

文献信息

• DE713467
  申请人：——

  公开号：——

  公开（公告）日：——
• McKay et al., Journal of the American Chemical Society, 1949, vol. 71, p. 766,768,769
  作者：McKay et al.

  DOI：——

  日期：——
• The Reaction of Amines with 2-Nitramino-1,3-diaza-2-cycloalkenes
  作者：A. F. McKay、J. R. Coleman、Gordon A. Grant

  DOI：10.1021/ja01163a113

  日期：1950.7
• Tafel; Weinschenk, Chemische Berichte, 1900, vol. 33, p. 3370
  作者：Tafel、Weinschenk

  DOI：——

  日期：——
• A Hungarian example for handsearching specialized national healthcare journals of small countries for controlled trials. Is it worth the trouble?
  作者：Dániel Bereczki、Gyöngyi Gesztelyi

  DOI：10.1046/j.1365-2532.2000.00280.x

  日期：2000.9

  AbstractThe objective of this study was to determine whether a Hungarian language journal of clinical neuroscience, which is not indexed in medline, contains any reports of randomized or quasi‐randomized clinical trials that are not also reported in medline‐indexed publications. A cover‐to‐cover handsearch was performed of the journal Clinical Neuroscience/Ideggyógyászati Szemle, the official journal of Hungarian societies of neurology, neurosurgery, psychiatry and related clinical neurosciences, from its first volume in 1950 to the end of 1998; and a search of medline for other reports of the trials identified. Clinical trials in which patients were allocated to interventions by randomized, quasi‐randomized or possibly randomized means were identified. Controlled trials were tabulated and coded as randomized controlled trials or controlled clinical trials according to the definitions of the Handsearch Manual of the Cochrane Collaboration. We identified three randomized and eight quasi‐randomized trials. Six of the 11 trials were not reported in medline indexed publications.In conclusion, to obtain a comprehensive controlled trials register, specialized healthcare journals printed in small numbers in the national languages of small countries should be searched.