5-苯基-2-(丙-2-炔基氨基)-1,3-恶唑-4-酮 | 32962-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-苯基-2-(丙-2-炔基氨基)-1,3-恶唑-4-酮
• 英文名称: 5-phenyl-2-prop-2-ynylamino-oxazol-4-one
• 英文别名: 5-phenyl-2-(2-propynylamino)-2-oxazolin-4-one；5-phenyl-2-(prop-2-ynylamino)-4-oxazolone；5-Phenyl-2-(2-propynylamino)-2-oxazolin-4-one；5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
• CAS: 32962-46-2
• 化学式: C₁₂H₁₀N₂O₂
• mdl: MFCD00003185
• 分子量: 214.224
• InChiKey: WWTYGEPOGPVBJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1(b)
• 安全说明：
  S24/25
• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 2811

SDS

Name:	5-Phenyl-2-(2-propynylamino)-2-oxazolin-4- one, 97+% Material Safety Data Sheet
Synonym:
CAS:	32962-46-2

Section 1 - Chemical Product MSDS Name: 5-Phenyl-2-(2-propynylamino)-2-oxazolin-4- one, 97+% Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32962-46-2	5-phenyl-2-(2-propynylamino)-2-oxazoli		251-312-0

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

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 32962-46-2: Personal Protective Equipment
Eyes:
Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 165.00 - 169.00 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: C12H10N2O2
Molecular Weight: 214.22

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 32962-46-2: RQ5822000
LD50/LC50:
CAS# 32962-46-2: Oral, mouse: LD50 = 230 mg/kg.
Carcinogenicity:
5-phenyl-2-(2-propynylamino)-2-oxazolin-4- one - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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# 32962-46-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 32962-46-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 32962-46-2 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  匹莫林 、 炔丙胺 以 乙醇 为溶剂， 反应 70.0h， 生成 5-苯基-2-(丙-2-炔基氨基)-1,3-恶唑-4-酮
  参考文献：
  名称：

  5-苯基-2-（2-丙炔基氨基）-2-恶唑啉-4-酮及其衍生物的合成及抗抑郁活性。

  摘要：

  DOI：

  10.1021/jm00282a012

文献信息

• [EN] GLUCAGON ANTAGONISTS/INVERSE AGONISTS<br/>[FR] ANTAGONISTES/AGONISTES INVERSES DU GLUCAGON
  申请人：NOVO NORDISK AS

  公开号：WO1999001423A1

  公开（公告）日：1999-01-14

  Non-peptide compounds comprising a central hydrazide motif and methods for the synthesis thereof. The compounds act to antagonize the action of the glucagon peptide hormone.

  非肽化合物包含一个中心肼基结构，并且其合成方法。这些化合物作用是拮抗胰高血糖素肽激素的作用。
• AQUEOUS INKJET INK, AND METHOD FOR FORMING INKJET IMAGE
  申请人：Konica Minolta Holdings, Inc.

  公开号：EP2592120B1

  公开（公告）日：2017-08-02
• AQUEOUS INKJET INK AND METHOD FOR FORMING INKJET IMAGE
  申请人：Ikeda Masashi

  公开号：US20130106945A1

  公开（公告）日：2013-05-02

  Disclosed is an aqueous inkjet ink which may contain water, a pigment, an organic or an inorganic acid, an amine, a resin that has a higher pKa than the organic or the inorganic acid, and a cross-linking agent. The aqueous inkjet ink exhibits excellent abrasion resistance even in cases where the drying time is short, while having high bleeding resistance and high storage stability. Also disclosed is a method for forming an inkjet image.
• US5241018A
  申请人：——

  公开号：US5241018A

  公开（公告）日：1993-08-31
• US9062223B2
  申请人：——

  公开号：US9062223B2

  公开（公告）日：2015-06-23

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