4-methylene-3-formyl-2,2,5,5-tetramethylimidazolidin-1-oxyl | 82814-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4-methylene-3-formyl-2,2,5,5-tetramethylimidazolidin-1-oxyl
• 英文别名: 2,2,5,5-tetramethyl-4-methylene-3-formylimidazolidin-1-oxyl；2,2,5,5-Tetramethyl-4-methylene-3-formyl-imidazolidine-1-oxyl
• CAS: 82814-77-5
• 化学式: C₉H₁₅N₂O₂
• 分子量: 183.23
• InChiKey: ONQMWCSGKTZFEY-UHFFFAOYSA-N

物化性质

• 熔点：
  90.5°C
• 沸点：
  316.91°C (rough estimate)
• 密度：
  1.1277 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  24.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25

SDS

Name:	2 2 5 5-Tetramethyl-4-Methylene-3-Formyl- Imidazolidine-1-Oxyl Free Material Safety Data Sheet
Synonym:	None Known
CAS:	82814-77-5

Section 1 - Chemical Product MSDS Name:2 2 5 5-Tetramethyl-4-Methylene-3-Formyl- Imidazolidine-1-Oxyl Free Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
82814-77-5	2,2,5,5-Tetramethyl-4-Methylene-3-Form	98%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.)

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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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 82814-77-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 89.50 - 91.20 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: C9H15N2O2
Molecular Weight: 183.23

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 82814-77-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2,5,5-Tetramethyl-4-Methylene-3-Formyl- Imidazolidine-1-Oxyl, Free Radical - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 82814-77-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 82814-77-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 82814-77-5 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-methylene-3-formyl-2,2,5,5-tetramethylimidazolidin-1-oxyl 在 sodium hypobromide 作用下， 以 乙醇 、 水 为溶剂， 以90%的产率得到4-dibromomethyl-2,2,5,5-tetramethyl-3-imidazolin-1-oxyl
  参考文献：
  名称：

  Halogen derivatives of nitroxyl radicals of imidazoline

  摘要：

  DOI：

  10.1007/bf00948852
• 作为产物：
  描述：

  2,2,4,5,5-pentamethyl-2,5-dihydro-1H-imidazol-1-yloxy 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 生成 4-methylene-3-formyl-2,2,5,5-tetramethylimidazolidin-1-oxyl
  参考文献：
  名称：

  Nitroxyl radicals of 3-imidazoline and 3-imidazolinium in the vilsmeier reaction

  摘要：

  DOI：

  10.1007/bf00956013

文献信息

• Effect of the chemical structure of nitroxyl radicals on their reactivity in the reaction with hydrazobenzene and tetranitromethane
  作者：A. D. Malievskii、S. V. Koroteev、L. B. Volodarskii、A. B. Shapiro

  DOI：10.1007/bf00958847

  日期：1990.11

  The reaction rate constants of reduction of stable radicals of different classes by hydrazobenzene in hexane at approximately 20-degrees-C, in the range of 0.4-5.10(3) M-1.sec-1, were determined; a single scale of the oxidative properties of stable nitroxyl radicals was constructed. The rate constants of oxidation of a series of nitroxyl radicals by tetranitromethane in aqueous medium at approximately 20-degrees-C, in the range of 0.06-10 M-1.sec-1, were determined. It was shown that the oxidative properties of the nitroxyl group decrease slightly with an increase in its reducing properties for nitroxyl radicals of the piperidine and imidazoline series in reactions with ascorbic acid and tetranitromethane in aqueous medium, respectively.
• Nitroxyl radicals of 3-imidazoline and 3-imidazolinium in the vilsmeier reaction
  作者：V. A. Reznikov、L. B. Volodarskii

  DOI：10.1007/bf00956013

  日期：1982.6
• Heterocyclic enamides ? Derivatives of imidazolidine nitrosyl radicals: Reactions with nucleophilic and electrophilic reagents
  作者：V. A. Reznikov、L. A. Vishnivetskaya、L. B. Bolodarskii

  DOI：10.1007/bf00755689

  日期：1988.5
• Halogen derivatives of nitroxyl radicals of imidazoline
  作者：V. A. Reznikov、L. B. Volodarskii

  DOI：10.1007/bf00948852

  日期：1984.11