9-氢芴-9-乙酸乙酯 | 159803-52-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 9-氢芴-9-乙酸乙酯
• 中文别名: 芴-9-乙酸乙酯；2-(9h-芴-9-基)乙酸乙酯
• 英文名称: 9H-fluorene-9-acetic acid ethyl ester
• 英文别名: ethyl 2-(9H-fluoren-9-yl)acetate；fluoren-9-yl-acetic acid ethyl ester；Fluoren-9-yl-essigsaeure-aethylester
• CAS: 159803-52-8
• 化学式: C₁₇H₁₆O₂
• 分子量: 252.313
• InChiKey: KSSIOELMUJKEML-UHFFFAOYSA-N

物化性质

• 熔点：
  77 °C(Solv: ethanol (64-17-5))
• 沸点：
  106-112 °C (0.1 mmHg)
• 密度：
  1.134±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  避免与氧化物、还原剂及酸类物质接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2916399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	Ethyl 9H-fluorene-9-acetate Material Safety Data Sheet
Synonym:	Fluorene-9H-acetic acid ethyl este
CAS:	159803-52-8

Section 1 - Chemical Product MSDS Name:Ethyl 9H-fluorene-9-acetate Material Safety Data Sheet
Synonym:Fluorene-9H-acetic acid ethyl este

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
159803-52-8	Ethyl 9H-fluorene-9-acetate	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. May be harmful if absorbed through the skin.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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# 159803-52-8: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: Liquid
Color: clear colorless to slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 106 - 112 deg C@0.1 mmHg
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: C17H16O2
Molecular Weight: 252.32

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 159803-52-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 9H-fluorene-9-acetate - 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# 159803-52-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 159803-52-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 159803-52-8 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：

  9-氢芴-9-乙酸乙酯 在 乙醇 、 一水合肼 作用下， 生成 fluoren-9-yl-acetic acid hydrazide
  参考文献：
  名称：

  Sieglitz; Jassoy, Chemische Berichte, 1921, vol. 54, p. 2138

  摘要：

  DOI：
• 作为产物：
  描述：

  fluoren-9-yl-glyoxylic acid ethyl ester 在 盐酸 、 乙醇 、 sodium ethanolate 、 溴乙酸乙酯 作用下， 生成 9-氢芴-9-乙酸乙酯
  参考文献：
  名称：

  Wislicenus; Eble, Chemische Berichte, 1917, vol. 50, p. 258

  摘要：

  DOI：

文献信息

• Modular Tandem Mizoroki‐Heck/Reductive Heck Reactions to Construct Fluorenes from Cyclic Diaryliodoniums
  作者：Xiaopeng Peng、Yang Yang、Bingling Luo、Shijun Wen、Peng Huang

  DOI：10.1002/adsc.202001080

  日期：2021.1.5

  Starting from cyclic diaryliodoniums and terminal alkenes, a diverse set of fluorenes is conveniently constructed. The reactions catalyzed by palladium undergo one conventional Mizoroki‐Heck reaction and one reductive Heck reaction. The scope of alkenes is general, leading to 29 fluorenes which would expand the structural diversity of fluorene reservoir.

  从环状二芳基碘鎓和末端烯烃开始，可以方便地构建各种芴。钯催化的反应会进行一种常规的Mizoroki-Heck反应和一种还原性Heck反应。烯烃的范围很广，导致有29个芴，这将扩大芴储层的结构多样性。
• 9-Phenethylfluorene and its dehydro derivatives
  作者：Neil Campbell、Kenneth W. Delahunt

  DOI：10.1039/j39660001810

  日期：——

  9-Phenethylfluorene, 9-phenylethylidenefluorene, β-9-fluorenylstyrene, and spiro-1-(9-fluorenyl)-2-phenyl-cyclopropane have been synthesised and their structure established. Certain erroneous statements about 2-(9-fluorenyl)-1,1-diphenylethene and 2-fluorenylidene-1,1-diphenylethane have been corrected and the isomerisation of these substances compared with that of 9-phenylethylidenefluorene and β-9-fluorenylstyrene

  合成了9-苯乙芴，9-苯乙叉芴，β-9-芴苯乙烯和螺-1-（9-芴基）-2-苯基环丙烷。关于2-（9-芴基）-1,1-二苯乙烯和2-芴基-1,1-二苯乙烷的某些错误陈述已得到纠正，并且与9-苯基亚乙基芴和β-9-芴基苯乙烯相比，这些物质的异构化1,3,3-和1,1,3-三苯基丙烯
• v. Braun; Anton, Chemische Berichte, 1929, vol. 62, p. 148
  作者：v. Braun、Anton

  DOI：——

  日期：——
• Goehring, R. Richard, Organic Preparations and Procedures International, 1994, vol. 26, # 4, p. 476 - 478
  作者：Goehring, R. Richard

  DOI：——

  日期：——
• Treibs, Justus Liebigs Annalen der Chemie, 1957, vol. 603, p. 145,153
  作者：Treibs

  DOI：——

  日期：——