9-二苯亚甲基-10-蒽酮 | 667-91-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 9-二苯亚甲基-10-蒽酮
• 英文名称: 10-benzhydrylidene-9-anthrone
• 英文别名: 10-diphenylmethylene-9(10H)-anthracenone；10-(Diphenylmethylene)anthracen-9(10H)-one；10-benzhydrylideneanthracen-9-one
• CAS: 667-91-4
• 化学式: C₂₇H₁₈O
• 分子量: 358.439
• InChiKey: SPOJSTUMWGMCFP-UHFFFAOYSA-N

物化性质

• 熔点：
  203-207 °C
• 沸点：
  450.86°C (rough estimate)
• 密度：
  1.0621 (rough estimate)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• 储存条件：
  密封保存，应储存在阴凉干燥的仓库中。

SDS

Name:	9-Benzhydrylidene-10-anthrone Material Safety Data Sheet
Synonym:
CAS:	667-91-4

Section 1 - Chemical Product MSDS Name:9-Benzhydrylidene-10-anthrone Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
667-91-4	9-Benzhydrylidene-10-anthrone	100.0	211-570-7

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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Antidote: None reported.

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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 water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Sweep up or absorb material, then place into a suitable clean, dry, closed 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. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 667-91-4: 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:
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: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 203.00 - 206.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C27H18O
Molecular Weight: 358.44

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 667-91-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
9-Benzhydrylidene-10-anthrone - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 667-91-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 667-91-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 667-91-4 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：

  9-二苯亚甲基-10-蒽酮 在 氢氧化钾 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 生成 <10-Aethinyl-<9>anthryl>-diphenyl-methanol
  参考文献：
  名称：

  Cognacq,J.-C.; Chodkiewicz,W., Bulletin de la Societe Chimique de France, 1965, p. 2183 - 2187

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3'-Diphenyl-10-oxo-spiro-<9-(9,10-dihydroanthracen):l'-(2'-thiiran)> 在 三苯基膦 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以95%的产率得到9-二苯亚甲基-10-蒽酮
  参考文献：
  名称：

  Synthesis, Self-Assembly, and Charge Transporting Property of Contorted Tetrabenzocoronenes

  摘要：

  A facile route has been developed for the preparation of a new family of contorted 1.2,3.4,7.8,9.10-tetrabenzocoronenes (TBCs). A two-step cyclization reaction, i.e., oxidative photocyclization followed by FeCl3-mediated intramolecular cyclodehydrogenation, was carried out on the olefin precursors to obtain the final TBC compounds. These new TBC molecules have contorted conformation due to steric overcrowding as disclosed by single-crystal crystallographic analysis. Nevertheless, they showed extended pi-conjugation compared with coronene and exhibited strong aggregation in solution. The thermal behavior and self-assembly of TBC-C8 in solid were studied by a combination of thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), powder X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscope (TEM). Compound TBC-C8 showed very good thermal and photostability and exhibited long-range ordered pi-stacking in the bulk state. Moreover, uniform nanofibers with tens of micrometer length are formed in the drop-casted thin films. TBC-C8 also possesses a desirable HOMO energy level (-5.10 eV), which allows efficient charge injection from electrodes such as gold electrode. The charge carrier mobilities were determined by using the space-charge limited-current (SCLC) technique and high average hole mobility of 0.61 cm(2) V-1 s(-1) was obtained for TBC-C8.

  DOI：

  10.1021/jo101701k

文献信息

• An Aerobic Alternative to Oxidative Ozonolysis of Styrenes
  作者：Garazi Urgoitia、Raul SanMartin、María Teresa Herrero、Esther Domínguez

  DOI：10.1002/adsc.201500944

  日期：2016.3.31

  A general, selective and extremely efficient procedure for the aerobic cleavage of aromatic alkenes is presented. TON values in the range 6,000,000–10,000,000 are obtained for this nickel‐catalyzed reaction performed in polyethylene glycol 400 under 1 atm of molecular oxygen. Mono‐, di‐, tri‐ and tetrasubstituted styrene derivatives are oxidatively cleaved by this reproducible protocol, also suitable

  提出了一种有氧裂解芳香烯烃的通用，选择性和极其有效的方法。在1个大气压的分子氧下，在聚乙二醇400中进行的镍催化反应获得的TON值为6,000,000–10,000,000。单重，二重，三重和四取代的苯乙烯衍生物可通过该可重复操作规程进行氧化裂解，也适用于大规模（1.5 g）反应。底物中可以容忍几种官能团（烷基，烷氧基，卤素，三氟甲基）的存在。解释由芳族烯烃选择性生成羧酸和酮的机理建议涉及多元醇溶剂参与所提出的氧化过程。
• Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure–property correlation
  作者：Chi-Hsien Kuo、Ding-Chi Huang、Wei-Tao Peng、Kenta Goto、Ito Chao、Yu-Tai Tao

  DOI：10.1039/c4tc00296b

  日期：——

  Tetrabenzo[a,d,j,m]coronene (TBC) is a contorted polyaromatic molecule which shows near co-facial π–π stacking in the crystalline state and the high electronic coupling resulting from the packing renders it a potential candidate as a transistor material. Substitution at the periphery perturbs the packing due to steric as well as dipolar interactions and thus changes the electronic coupling between

  四苯并[ a，d，j，m] ron烯（TBC）是一种扭曲的多芳族分子，在晶体状态下显示出近共面的π-π堆积，并且由于堆积而产生的高电子耦合使其成为晶体管材料的潜在候选者。在外围的取代由于空间以及偶极相互作用而扰乱了堆积，因此改变了相邻分子之间的电子耦合。鉴于电荷迁移率对电子耦合的高敏感性，设计，合成和表征了一系列新的TBC衍生物，它们在1、2、3、6、7、8位具有取代基。对于这些不对称取代的衍生物，使用物理气相传输（PVT）方法制备了针状单晶，并用于晶体结构分析以及单晶场效应晶体管（SCFET）器件制造。具有含氟取代基的衍生物表现出反平行的界面或π-π堆积略有偏移，而具有庞大烷基取代基的衍生物表现出倾斜且偏移更明显的π-π堆积。晶体填充物和计算出的电子耦合/电荷迁移率与测得的SCFET迁移率的系统比较显示出大致的相关性，并阐明了以六氟化TBC作为沟道材料的SCFET的大空穴迁移率的起源。具
• The canary tree revisited
  作者：Tapani Hyttinen、Mika Rautila

  DOI：10.2307/2694968

  日期：2001.12

  We generalize the result of Mekler and Shelah [3] that the existence of a canary tree is independent of ZFC + GCH to uncountable regular cardinals. We also correct an error from the original proof.

  摘要。 我们将 Mekler 和 Shelah [3] 的结果推广到不可数正则基数，即鹦鹉树的存在性与 ZFC + GCH 无关。我们还更正了原始证明中的一个错误。
• Padova, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1909, vol. 149, p. 219
  作者：Padova

  DOI：——

  日期：——
• Pourcelot,G.; Cadiot,P., Bulletin de la Societe Chimique de France, 1966, p. 3024 - 3033
  作者：Pourcelot,G.、Cadiot,P.

  DOI：——

  日期：——