2,4,5,7-四硝基-9-芴酮 | 746-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 2,4,5,7-四硝基-9-芴酮
• 英文名称: 2,4,5,7-tetranitrofluoren-9-one
• 英文别名: 2,4,5,7-tetranitro-9-fluorenone；2,4,5,7-tetranitrofluorenone
• CAS: 746-53-2
• 化学式: C₁₃H₄N₄O₉
• mdl: MFCD00001143
• 分子量: 360.196
• InChiKey: JOERSAVCLPYNIZ-UHFFFAOYSA-N

物化性质

• 熔点：
  252-253 °C
• 沸点：
  492.26°C (rough estimate)
• 密度：
  1.5946 (rough estimate)
• 保留指数：
  486.49

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  200
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• 危险等级：
  1.1D
• 危险品运输编号：
  0475
• 危险类别：
  1.1

SDS

Name:	2 4 5 7-Tetranitro-9-Fluorenone 98% Material Safety Data Sheet
Synonym:	Fluoren-9-One, 2,4,5,7-Tetranitro-
CAS:	746-53-2

Section 1 - Chemical Product MSDS Name:2 4 5 7-Tetranitro-9-Fluorenone 98% Material Safety Data Sheet
Synonym:Fluoren-9-One, 2,4,5,7-Tetranitro-

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
746-53-2	2,4,5,7-Tetranitro-9-Fluorenone	98%	212-018-8

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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 746-53-2: 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 minimize contact with skin.
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: Powder
Color: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 251.00 - 253.00 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: C13H4N4O9
Molecular Weight: 360.20

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 746-53-2: LL9095200 LD50/LC50:
Not available.
Carcinogenicity:
2,4,5,7-Tetranitro-9-Fluorenone - 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# 746-53-2: No information available.
Canada
CAS# 746-53-2 is listed on Canada's NDSL List.
CAS# 746-53-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 746-53-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,4,5,7-四硝基-9-芴酮 在 硫酸 作用下， 生成 2-(2,4,5,7-tetranitrofluoren-9-ylideneaminooxy)-propionic acid methyl ester
  参考文献：
  名称：

  Application of NMR spectroscopy of chiral association complexes. 13—electron donor-acceptor complexes between racemic carbazolo[3,4-c]carbazoles and an optically active acceptor

  摘要：

  AbstractStrong electron donor–acceptor (EDA) association between carbazolo[3,4‐c]carbazoles and an optically active tetranitrofluorenone derivative was detected by UV–visible spectroscopy and by 1H NMR shifts. 1H NMR splittings at low temperatures are due to diastereomeric association complexes and, thus, prove the chirality of carbazolocarbazoles.

  DOI：

  10.1002/mrc.1270200306
• 作为产物：
  描述：

  9-芴酮 以81的产率得到2,4,5,7-四硝基-9-芴酮
  参考文献：
  名称：

  Camptothecin derivatives as chemoradiosensitizing agents

  摘要：

  基于喜树碱的化合物可用于治疗哺乳动物主体中的肿瘤，通过将此类化合物与放射治疗相结合，即使用放射性物质或来自主体外部的辐射治疗肿瘤。基于喜树碱的化合物通过在喜树碱结构周围定位至少一个电子亲和基团来进行改性，以增强它们与放射治疗的组合价值。还披露了新的基于喜树碱的化合物，可通过单独或与放射治疗相结合的方式治疗癌症。

  公开号：

  US20070093432A1
• 作为试剂：
  描述：

  10H-苯并噻嗪,10-乙烯基- 在 2,4,5,7-四硝基-9-芴酮 、 水 作用下， 反应 0.08h， 生成 吩噻嗪 、 乙醛
  参考文献：
  名称：

  Mechanism of hydrolysis of 10-vinylphenothiazine in the presence of organic ?-electron acceptors

  摘要：

  DOI：

  10.1007/bf00950633

文献信息

• Electrophotographic photoconductor, process for forming an image, image forming apparatus and a process cartridge for the same
  申请人：——

  公开号：US20030190540A1

  公开（公告）日：2003-10-09

  Providing an electrophotographic photoconductor comprising a conductive support and a photoconductive layer disposed on the photoconductive support; wherein the photoconductive layer contains an azo compound expressed by a general formula <<1>>. Ar &Parenopenst;N═N—Cp) n general formula <<1>> (in the general formula <<1>>, Ar expresses one of a substituted or non-substituted aromatic carbon hydride group and heterocyclic ring aromatic series group which can be combined by way of a bond group; Cp expresses a coupler residual group; n expresses an integer of one of 1, 2, 3, and 4; at least one of the Cp is a coupler residual group selected from one of the following general formulae <<2>>, <<3>>, and <<4>>.) 1

  提供一种电照相光导体，包括导电支持和设置在光导支承上的光导层；其中，所述光导层含有一种由下式表示的偶氮化合物。
• ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US20160304437A1

  公开（公告）日：2016-10-20

  Provided are an asymmetric butadiene-based charge transporting compound represented by one of Formula (1) and (1′) as in claim 1 , an electrophotographic photoreceptor including the asymmetric butadiene-based charge transporting compound, and an electrophotographic imaging apparatus. The electrophotographic photoreceptor including the organic photoconductive material as a charge transporting material may not cause a problem, such as partial crystallization during film formation and may have a high charge potential, a sufficient photoresponsive property with high sensitivity, and a high durability. Moreover, these properties may be all maintained even in the case of exposure to light as well as use in low-temperature environments or high-speed processes, thus having high reliability.

  提供的是一种不对称丁二烯基电荷传输化合物，其表示为权利要求书中的公式（1）和（1'）之一，以及包括该不对称丁二烯基电荷传输化合物的电子照相感光鼓和电子照相成像设备。包括有机光导材料作为电荷传输材料的电子照相感光鼓可能不会在膜形成过程中出现部分结晶等问题，并且可能具有高电荷电位、足够的高灵敏度的光响应特性和高耐久性。此外，即使在受光照、低温环境或高速过程中使用的情况下，这些特性也可能全部保持，因此具有高可靠性。
• Hydrogen-Bond Interaction in Organic Conductors:  Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor−Acceptor Charge-Transfer Complexes of TTF-Imidazole
  作者：Tsuyoshi Murata、Yasushi Morita、Yumi Yakiyama、Kozo Fukui、Hideki Yamochi、Gunzi Saito、Kazuhiro Nakasuji

  DOI：10.1021/ja072607m

  日期：2007.9.1

  Hydrogen-bond interaction in donor-acceptor charge-transfer complexes of TTF-imidazole demonstrated the electronic effects in terms of control of component ratio and redox activation. These unprecedented effects of hydrogen bonds renewed the criteria giving "a high probability of being organic metals" and produced a number of highly conductive complexes with various acceptors having a wide range of electron-accepting

  TTF-咪唑的供体-受体电荷转移复合物中的氢键相互作用证明了在控制组分比和氧化还原活化方面的电子效应。氢键的这些前所未有的影响更新了“有机金属的可能性很高”的标准，并产生了许多具有各种受电子能力的高导电配合物。在对氯苯醌复合物中，两个分子通过氢键连接并形成 DAD 三联体，将供体-受体组成调节为 2:1。理论计算表明，氢键的极化率控制着供体和对苯醌型受体的氧化还原能力，并在配合物中提供了不同于供体和受体之间氧化还原电位差异所预期的离子性。在对氯苯醌络合物中，这种氢键的电子和结构调控实现了第一个基于氢键功能化 TTF 的金属供体-受体电荷转移络合物。氢键还控制着电荷转移复合物中的分子排列，提供多样化和高度有序的组装结构，对氯苯醌复合物中的 DAD 三元组，I(5) 盐中的一维锯齿形链，氯苯胺酸复合物中的交替供体-受体链和 DADA 环状四聚体在对氨基苯酸复合物中。此外，TTF-咪唑在苯胺酸配
• Electron Acceptors of the Fluorene Series. 10.¹ Novel Acceptors Containing Butylsulfanyl, Butylsulfinyl, and Butylsulfonyl Substituents:  Synthesis, Cyclic Voltammetry, Charge-Transfer Complexation with Anthracene in Solution, and X-ray Crystal Structures of Two Tetrathiafulvalene Complexes
  作者：Igor F. Perepichka、Anatolii F. Popov、Tatyana V. Orekhova、Martin R. Bryce、Alexander M. Andrievskii、Andrei S. Batsanov、Judith A. K. Howard、Nikolai I. Sokolov

  DOI：10.1021/jo991796r

  日期：2000.5.1

  present substantial steric hindrance for complexation (as compared to the nitro group), decreasing K(CTC) values. Two CTCs for acceptors 14 and 17 with tetrathiafulvalene (TTF) were obtained, and their structures were solved by single-crystal X-ray diffractometry, giving the stoichometries 14:TTF, 2:3, and 17:TTF:PhCl, 1:1:0.5. In the former complex the packing motif is a mixed.DDAD'A. stack; in the

  在偶极非质子传递溶剂中，2,4,5,7-四硝基-9-芴酮（1b）与正丁硫醇容易反应，位置2和7（2，3）处的丁基硫烷基选择性取代硝基；2，5-异构体4仅形成次要产物（＜1％）。芴酮2-4与丙二腈的缩合产生9-二氰基亚甲基衍生物5-7，其显示出强的分子内电荷转移（λ约510-560nm），并且发现其可敏化含咔唑的聚合物膜的光电导性。硫化物2-4的氧化得到亚砜8或砜9-11，然后将其转化为它们相应的二氰基亚甲基衍生物12-15。所有这些新颖的受体都显示出三个可逆的单电子还原波（循环伏安法），产生自由基阴离子，二价阴离子和自由基三价阴离子。此外，受体13-15还显示出第四还原波，代表可逆的四阴离子形成。二氰基亚甲基取代了芴酮中羰基上的氧，从而增加了自由基阴离子的热力学稳定性（K（SEM）生长）。K（SEM）范围从3 x 10（5）到3 x 10（9）M（-1）。CV测量将化合物3、4（EA = 1
• Azine-based dimeric charge transport materials
  申请人：——

  公开号：US20040265717A1

  公开（公告）日：2004-12-30

  Improved organophotoreceptor comprises an electrically conductive substrate and a photoconductive element on the electrically conductive substrate, the photoconductive element comprising: (a) a charge transport material having the formula 1 where R 1 , R 2 , R 3 , and R 4 comprise, each independently, an alkyl group, an alkenyl group, an aromatic group, a heterocyclic group, or a part of a ring group; X and X′ comprise, each independently, an aromatic group; Y and Y′ comprise, each independently, a (disubstituted)methylene group; and Z is a linking group; (b) a charge generating compound; and (c) an electrically conductive substrate on which said charge transport material and said charge generating compound are located. Corresponding electrophotographic apparatuses and imaging methods are also described.

  改进的有机光感受器包括一个电导基底和位于电导基底上的光电导元件，所述光电导元件包括： (a) 具有下列结构式1的电荷传输材料： 其中，R1、R2、R3和R4分别独立地包括烷基、烯基、芳香基、杂环基或环基的一部分； X和X'分别独立地包括芳香基； Y和Y'分别独立地包括(二取代)亚甲基基团； Z是一个连接基团； (b) 一个电荷生成化合物；以及 (c) 位于所述电导基底上的所述电荷传输材料和所述电荷生成化合物。 还描述了相应的电子照相设备和成像方法。

表征谱图