9-氧代-9h-芴-4-羧酰胺 | 42135-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 9-氧代-9h-芴-4-羧酰胺
• 英文名称: 9-oxofluorene-4-carboxamide
• 英文别名: 9-Oxo-9H-fluorene-4-carboxamide
• CAS: 42135-38-6
• 化学式: C₁₄H₉NO₂
• 分子量: 223.231
• InChiKey: PRROCNFTWSJBTJ-UHFFFAOYSA-N

物化性质

• 熔点：
  231-233°C
• 沸点：
  453.0±24.0 °C(Predicted)
• 密度：
  1.365±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 海关编码：
  2924299090

SDS

Name:	9-Oxo-9h-fluorene-4-carboxamide 97% Material Safety Data Sheet
Synonym:	9-Fluorenone-4-carboxamid
CAS:	42135-38-6

Section 1 - Chemical Product MSDS Name:9-Oxo-9h-fluorene-4-carboxamide 97% Material Safety Data Sheet
Synonym:9-Fluorenone-4-carboxamid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
42135-38-6	9-Oxo-9H-fluorene-4-carboxamide	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# 42135-38-6: 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: off-white - light tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 231 - 233 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: C14H9NO2
Molecular Weight: 223

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 42135-38-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
9-Oxo-9H-fluorene-4-carboxamide - 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# 42135-38-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 42135-38-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 42135-38-6 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-氧代-9h-芴-4-羧酰胺 在 盐酸 作用下， 生成 9-芴酮-4-甲酸
  参考文献：
  名称：

  Wegerhoff, Chemische Berichte, 1888, vol. 21, p. 2357

  摘要：

  DOI：
• 作为产物：
  描述：

  diphenimide 在 硫酸 作用下， 生成 9-氧代-9h-芴-4-羧酰胺
  参考文献：
  名称：

  Wegerhoff, Chemische Berichte, 1888, vol. 21, p. 2357

  摘要：

  DOI：

文献信息

• Nitroaromatics as n-type organic semiconductors for field effect transistors
  作者：Muhammad Rizwan Niazi、Ehsan Hamzehpoor、Pegah Ghamari、Igor F. Perepichka、Dmitrii F. Perepichka

  DOI：10.1039/d0cc01236j

  日期：——

  design of organic semiconductors (OSCs). Herein, we report the n-type semiconducting behavior of simple fluorenone derivatives functionalized with NO2 and CN groups. While the electron mobilities measured in the thin film field-effect transistors are modest (10−6–10−4 cm2 V−1 s−1), the nitrofluorenone OSCs offer excellent air-stability and remarkable tunability of energy levels via facile modification

  硝基（NO 2）是最常见的吸电子基团之一，但很少用于有机半导体（OSC）的设计中。在本文中，我们报告了由NO 2和CN基官能化的简单芴酮衍生物的n型半导体行为。尽管在薄膜场效应晶体管中测得的电子迁移率适中（10 -6 –10 -4 cm 2 V -1 s -1），但硝基芴酮OSC具有出色的空气稳定性和出色的能量级可调性，可通过替换模式的轻松修改。我们研究了取代基对电化学性能，分子和晶体结构以及硝基芴酮的电荷传输性能的影响，以振兴有机电子中被低估的NO 2功能化潜力。
• Aminal diones as potassium channel openers
  申请人：——

  公开号：US20020165264A1

  公开（公告）日：2002-11-07

  Compounds of formula (I) 1 may be useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.

  化合物式(I)1可能有助于治疗通过钾通道开放剂预防或改善的疾病。此外，还披露了钾通道开放组合物和在哺乳动物中开放钾通道的方法。
• Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor
  申请人：Sekiguchi Yoshinori

  公开号：US20080090863A1

  公开（公告）日：2008-04-17

  The present invention encompasses novel substituted pyridine compounds of Formula (I): which act as MCH receptor antagonists. These compositions and pharmaceutical compositions thereof are useful in the prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涵盖了式（I）的新型取代吡啶化合物，其作为MCH受体拮抗剂。这些组合物及其制药组合物在预防或治疗改善记忆功能、睡眠和觉醒、焦虑、抑郁、情绪障碍、癫痫、肥胖症、糖尿病、食欲和饮食障碍、心血管疾病、高血压、血脂异常、心肌梗死、暴食障碍，包括贪食症、厌食症、精神障碍，包括躁郁症、精神分裂症、谵妄、痴呆、压力、认知障碍、注意力缺陷障碍、物质滥用障碍和运动障碍，包括帕金森病、癫痫和成瘾方面具有用处。
• Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery
  作者：Dilip Narayanan、Kim T. Tran、Jakob S. Pallesen、Sara M. Ø. Solbak、Yuting Qin、Elina Mukminova、Martina Luchini、Kristina O. Vasilyeva、Dorleta González Chichón、Georgia Goutsiou、Cecilie Poulsen、Nanna Haapanen、Grzegorz M. Popowicz、Michael Sattler、David Olagnier、Michael Gajhede、Anders Bach

  DOI：10.1021/acs.jmedchem.2c00830

  日期：2022.11.10

  constitutes a promising strategy for treating diseases involving oxidative stress and inflammation. Here, a fragment-based drug discovery (FBDD) campaign resulted in novel, high-affinity (Ki = 280 nM), and cell-active noncovalent small-molecule Keap1-Nrf2 PPI inhibitors. We screened 2500 fragments using orthogonal assays─fluorescence polarization (FP), thermal shift assay (TSA), and surface plasmon

  针对转录因子核因子红细胞 2 相关因子 2 (Nrf2) 及其阻遏物 Kelch 样 ECH 相关蛋白 1 (Keap1) 之间的蛋白质-蛋白质相互作用 (PPI)，构成了治疗涉及氧化应激的疾病的有前途的策略和炎症。在这里，基于片段的药物发现 (FBDD) 活动产生了新颖的、高亲和力的 ( K i= 280 nM）和细胞活性非共价小分子 Keap1-Nrf2 PPI 抑制剂。我们使用正交分析——荧光偏振 (FP)、热位移分析 (TSA) 和表面等离子共振 (SPR)——筛选了 2500 个片段，并通过饱和转移差分 (STD) NMR 验证了命中，从而产生了 28 个高优先级命中。13 个共结构显示片段主要结合在 Keap1 的 Kelch 结构域的 P4 和 P5 子袋中，并且通过基于结构的药物发现优化了具有新结合模式的三个基于芴酮的片段。因此，我们公开了几个片段命中，包括它们的结合模式，并展示了如何执行
• Graebe; Schestakow, Justus Liebigs Annalen der Chemie, 1895, vol. 284, p. 308
  作者：Graebe、Schestakow

  DOI：——

  日期：——