2-羟基氨基-2-甲基-1-苯基-1-丙酮盐酸盐 | 34046-73-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-羟基氨基-2-甲基-1-苯基-1-丙酮盐酸盐
• 英文名称: N-(1,1-Dimethyl-2-oxo-2-phenylethyl)hydroxylamine hydrochloride
• 英文别名: 2-hydroxylamino-2-methyl-3-oxo-3-phenylpropane；N-(2-methyl-3-oxo-3-phenylpropyl-2)hydroxylamine chlorohydrate；Hydroxy-(2-methyl-1-oxo-1-phenylpropan-2-yl)azanium;chloride
• CAS: 34046-73-6
• 化学式: C₁₀H₁₃NO₂*ClH
• 分子量: 215.68
• InChiKey: IQXRMRJHVWFIHX-UHFFFAOYSA-N

物化性质

• 熔点：
  139-140

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.3
• 氢给体数：
  3
• 氢受体数：
  3

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
• 海关编码：
  2922509090

SDS

Name:	2-(Hydroxyamino)-2-methyl-1-phenylpropan-1-one hydrochloride 97% Material Safety Data Sheet
Synonym:
CAS:	34046-73-6

Section 1 - Chemical Product MSDS Name:2-(Hydroxyamino)-2-methyl-1-phenylpropan-1-one hydrochloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
34046-73-6	2-(Hydroxyamino)-2-methyl-1-phenylprop	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.

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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# 34046-73-6: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 139 - 140 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: C10H14ClNO2
Molecular Weight: 216

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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, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 34046-73-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Hydroxyamino)-2-methyl-1-phenylpropan-1-one hydrochloride - 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# 34046-73-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 34046-73-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34046-73-6 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-羟基氨基-2-甲基-1-苯基-1-丙酮盐酸盐 在 ammonium acetate 、 氨 、 氧气 、 copper(II) acetate monohydrate 作用下， 以 甲醇 、 水 为溶剂， 生成 2-(4-hydroxy-3,5-dimethylphenyl)-4,4-dimethyl-5-phenyl-4H-imidazole-3-oxide
  参考文献：
  名称：

  5-Aryl-2-(3,5-dialkyl-4-hydroxyphenyl)-4,4-dimethyl-4H-imidazole 3-Oxides 及其氧化还原种类：1-Hydroxy-2,5-dihydro-1H 的抗氧化活性如何-咪唑与杂化苯氧基-硝基氧化物的稳定性相关

  摘要：

  咪唑系列的环状硝酮含有空间位阻酚基，是研究抗氧化活性的有希望的对象；另一方面，它们在氧化时可以形成持久的杂化苯氧基-硝酰基自由基（HPNs）。在这里，一系列 5-芳基-4,4-二甲基-4H-咪唑 3-氧化物是通过芳族 2-羟基氨基酮与 4-甲酰基-2,6-二烷基苯酚缩合，然后氧化最初形成的 N-羟基而获得的。衍生品。结果表明，1-羟基-2,5-二氢咪唑和4H-咪唑3-氧化物的抗氧化活性随着酚基中烷基取代基空间体积的减小而增加，而相应的HPNs的稳定性则由4H-咪唑3-氧化物显示出相反的趋势。

  DOI：

  10.3390/molecules25143118
• 作为产物：
  描述：

  N-<1-Hydroxyimino-2-methyl-1-phenyl-propyl-(2)>-hydroxylamin 在 盐酸 作用下， 生成 2-羟基氨基-2-甲基-1-苯基-1-丙酮盐酸盐
  参考文献：
  名称：

  5-Aryl-2-(3,5-dialkyl-4-hydroxyphenyl)-4,4-dimethyl-4H-imidazole 3-Oxides 及其氧化还原种类：1-Hydroxy-2,5-dihydro-1H 的抗氧化活性如何-咪唑与杂化苯氧基-硝基氧化物的稳定性相关

  摘要：

  咪唑系列的环状硝酮含有空间位阻酚基，是研究抗氧化活性的有希望的对象；另一方面，它们在氧化时可以形成持久的杂化苯氧基-硝酰基自由基（HPNs）。在这里，一系列 5-芳基-4,4-二甲基-4H-咪唑 3-氧化物是通过芳族 2-羟基氨基酮与 4-甲酰基-2,6-二烷基苯酚缩合，然后氧化最初形成的 N-羟基而获得的。衍生品。结果表明，1-羟基-2,5-二氢咪唑和4H-咪唑3-氧化物的抗氧化活性随着酚基中烷基取代基空间体积的减小而增加，而相应的HPNs的稳定性则由4H-咪唑3-氧化物显示出相反的趋势。

  DOI：

  10.3390/molecules25143118

文献信息

• Interaction of heterocyclic nitrones with organometallic reagents as a method for the synthesis of new types of nitroxides
  作者：Vladimir A. Reznikov、Leonid B. Volodarsky

  DOI：10.1016/s0040-4020(01)81557-x

  日期：1993.1

  The reactions of heterocyclic nitroxides: 3-imidazoline-3-oxides, 2H- (4H)-imidazole mono- and dioxides, dihydropyrazine-1,4-dioxides, with organometallic reagents and subsequent oxidation led to heterocyclic nitroxides of 3-(2)-imidazoline and 3-(2)-imidazoline-3-oxide, dihydropyrazine oxide, monocyclic imidazolidine biradicals and stable acyclic nitroxides with hydrogen at the α-carbon atom.

  杂环氮氧化物的反应：3-咪唑啉-3-氧化物，2H-（4H）-咪唑单和二氧化物，二氢吡嗪-1,4-二氧化物与有机金属试剂的反应以及随后的氧化反应生成3-（2）杂环氮氧化物-咪唑啉和3-（2）-咪唑啉-3-氧化物，二氢吡嗪氧化物，单环咪唑烷双自由基和稳定的无环氮氧化物，氢在α-碳原子处。
• Hintermaier, Frank; Volodarsky, Leonid B.; Polborn, Kurt, Liebigs Annalen, 1995, # 12, p. 2189 - 2194
  作者：Hintermaier, Frank、Volodarsky, Leonid B.、Polborn, Kurt、Beck, Wolfgang

  DOI：——

  日期：——
• Synthesis of bifunctional derivatives of nitroxyl radicals of imidazoline
  作者：V. A. Reznikov、L. B. Volodarskii

  DOI：10.1007/bf00756415

  日期：1990.6
• Formation of 4,5-dihydro-1,2,4-triazoles during rearrangement of O-acetyl derivatives of 1,2-hydroxylaminohydrazones and thiosemicarbazones
  作者：N. V. Belova、L. B. Volodarskii、A. Ya. Tikhonov

  DOI：10.1007/bf00514996

  日期：1986.3
• Stable nitroxyl radicals with a hydrogen atom at ?-carbon atom of nitroxyl group
  作者：V. A. Reznikov、I. A. Gulorov、Yu. V. Gatilov、T. V. Rybalova、L. B. Volodarsky

  DOI：10.1007/bf01433978

  日期：1996.2

  Nitroxyl radicals containing the diphenylmethyl group as one of the substituents at the nitroxyl group are stable compounds that can be isolated in an individual state. N-(2-Hydroxy-3-methyl-2-phenylcyclohexyl)-N- diphenylmethylnitroxyl was characterized by X-ray diffraction analysis for the first time.