3,5-二苯基环戊烷-1,2,4-三酮 | 7003-69-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,5-二苯基环戊烷-1,2,4-三酮
• 英文名称: 2.5-Diphenyl-cyclopentantrion-(1.3.4)
• 英文别名: 3,5-diphenylcyclopentane-1,2,4-trione；3,5-Diphenyl-cyclopentan-1,2,4-trion；α.α'-Oxalyl-dibenzylketon
• CAS: 7003-69-2
• 化学式: C₁₇H₁₂O₃
• mdl: MFCD00101320
• 分子量: 264.28
• InChiKey: OHQNFRSPZUPPSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.117
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25

SDS

Name:	3 5-Diphenylcyclopentane-1 2 4-trione 97% Material Safety Data Sheet
Synonym:
CAS:	7003-69-2

Section 1 - Chemical Product MSDS Name:3 5-Diphenylcyclopentane-1 2 4-trione 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7003-69-2	3,5-Diphenylcyclopentane-1,2,4-trione	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7003-69-2: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C17H12O3
Molecular Weight: 264

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, acids, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7003-69-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Diphenylcyclopentane-1,2,4-trione - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 7003-69-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7003-69-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7003-69-2 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：

  3,5-二苯基环戊烷-1,2,4-三酮 在 镍 、 sodium carbonate 作用下， 生成 4-hydroxy-2,5-diphenyl-cyclopentane-1,3-dione
  参考文献：
  名称：

  对于环戊烷-1,3-二酮的了解。（关于酮，酮酸和烯醇-内酯的第八次交流）

  摘要：

  DOI：

  10.1002/hlca.19460290215
• 作为产物：
  描述：

  苯乙酰氯 在 bis(1,5-cyclooctadiene)nickel (0) 、 sodium 、 magnesium chloride 、 锌 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 63.0h， 生成 3,5-二苯基环戊烷-1,2,4-三酮
  参考文献：
  名称：

  一种具有电子传输效应的有机电致发光材料及其有机发光器件

  摘要：

  本发明提供一种具有电子传输效应的有机电致发光材料及其有机发光器件，属于有机光电材料技术领域。解决现有技术中有机光电材料发光效率低、驱动电压较高、使用寿命短等发光性能差的技术问题。与现有技术相比，本发明的基于一种具有电子传输效应的有机电致发光材料及其有机发光器件，驱动电压最低为3.9V，发光效率最高可达21.4cd/A，是一种优异的OLED材料。

  公开号：

  CN107235858A

文献信息

• 一种含有环戊烷的化合物及其有机电致发光器件
  申请人：长春海谱润斯科技有限公司

  公开号：CN108373428A

  公开（公告）日：2018-08-07

  本发明提供一种含有环戊烷的化合物及其有机电致发光器件，涉及有机光电材料技术领域。该类化合物制备方法简单、原料易得，有利于空穴的传输，热稳定性和成膜性都很好，应用于OLED器件中，可以显著地提高器件的发光效率、降低驱动电压，并且还能延长器件的使用寿命。
• One-Pot Three-Component Access to Pyranocyclopentendiones
  作者：Mohammad Bagher Teimouri、Farideh Mansouri

  DOI：10.3184/030823410x12753056300098

  日期：2010.6

  An efficient synthesis of dialkyl 2-(alkylamino)-5,6-dioxo-4a,7-diphenyl-4,4a,5,6-tetrahydrocyclopenta[b]pyran-3,4-dicarboxylates from one-pot three-component reaction of the zwitterions generated from dialkyl acetylenedicarboxylates and alkyl isocyanides with 3,5-diphenylcyclopentane-1,2,4-trione is described.

  从一锅三组分反应有效合成二烷基 2-(烷基氨基)-5,6-dioxo-4a,7-diphenyl-4,4a,5,6-四氢环戊[b]pyran-3,4-dicarboxylates描述了由二烷基乙炔二羧酸酯和烷基异氰化物与 3,5-二苯基环戊烷-1,2,4-三酮生成的两性离子的研究。
• Chakravarti, Journal of the Indian Chemical Society, 1925, vol. 2, p. 75
  作者：Chakravarti

  DOI：——

  日期：——
• 183. Structure and antimalarial activity. Part I. Some acridine derivatives
  作者：D. Muriel Hall、E. E. Turner

  DOI：10.1039/jr9450000694

  日期：——
• Claisen; Ewan, Justus Liebigs Annalen der Chemie, 1895, vol. 284, p. 281
  作者：Claisen、Ewan

  DOI：——

  日期：——