2,5-dihydro-4-<(hydroxyimino)methyl>-2,2,5,5-tetramethyl-1H-imidazol-1-yloxyl | 52213-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2,5-dihydro-4-<(hydroxyimino)methyl>-2,2,5,5-tetramethyl-1H-imidazol-1-yloxyl
• 英文别名: 4-hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline-1-oxyl；4-Hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazolin-1-oxyl；2,2,5,5-Tetramethyl-4-hydroxyiminomethyl-3-imidazolin-1-oxyl
• CAS: 52213-23-7
• 化学式: C₈H₁₄N₃O₂
• 分子量: 184.218
• InChiKey: RTSNJHGNCNPJOI-UHFFFAOYSA-N

物化性质

• 熔点：
  163-164 °C
• 沸点：
  318.17°C (rough estimate)
• 密度：
  1.1837 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

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

SDS

Name:	4-Hydroxyiminomethyl-2 2 5 5-tetramethyl-3-imidazoline-1-oxyl free Material Safety Data Sheet
Synonym:	None
CAS:	52213-23-7

Section 1 - Chemical Product MSDS Name:4-Hydroxyiminomethyl-2 2 5 5-tetramethyl-3-imidazoline-1-oxyl free Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
52213-23-7	4-Hydroxyiminomethyl-2,2,5,5-tetrameth	98	unlisted

Hazard Symbols: XN
Risk Phrases: 40

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Limited evidence of a carcinogenic effect.The toxicological properties of this material have not been fully investigated.Possible risks of irreversible effects.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Dust can be an explosion hazard when exposed to heat or flame.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. 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. Do not breathe dust.
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# 52213-23-7: 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 prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: light yellow to yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 163.00 - 164.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H14N3O2
Molecular Weight: 184.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Thermal decomposition or combustion may produce carbon monoxide, carbon dioxide, and nitrogen oxides..
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 52213-23-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline-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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 52213-23-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52213-23-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52213-23-7 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：

  2,5-dihydro-4-<(hydroxyimino)methyl>-2,2,5,5-tetramethyl-1H-imidazol-1-yloxyl 在 air 作用下， 以40%的产率得到2-(2,2-dimethyl-2H-imidazole-1-oxid-4-yl)-2-propyl nitrate
  参考文献：
  名称：

  Synthesis of 2H-imidazole 1-oxides and stable nitroxyl radicals based on them

  摘要：

  2H-Imidazole 1-oxides containing an aldonitrone group in the heterocyclic ring are obtained by the condensation of hydroximinomethyl ketones with ketones and ammonium acetate. Their oxidation with lead dioxide in methanol gives stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-1-oxyls.

  DOI：

  10.1007/bf00960421

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.
• Synthesis of 2H-imidazole 1-oxides and stable nitroxyl radicals based on them
  作者：I. A. Kirilyuk、I. A. Grigor'ev、L. B. Volodarskii

  DOI：10.1007/bf00960421

  日期：1991.9

  2H-Imidazole 1-oxides containing an aldonitrone group in the heterocyclic ring are obtained by the condensation of hydroximinomethyl ketones with ketones and ammonium acetate. Their oxidation with lead dioxide in methanol gives stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-1-oxyls.