9,9-双十二烷基芴-2,7-二硼酸 | 480424-86-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 9,9-双十二烷基芴-2,7-二硼酸
• 英文名称: 9,9-didodecylfluorene-2,7-diboronic acid
• 英文别名: (7-borono-9,9-didodecylfluoren-2-yl)boronic acid
• CAS: 480424-86-0
• 化学式: C₃₇H₆₀B₂O₄
• 分子量: 590.503
• InChiKey: MLGWUNIPUPZNEE-UHFFFAOYSA-N

物化性质

• 熔点：
  269 °C (Dec.) (lit.)
• 沸点：
  739.9±70.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.93
• 重原子数：
  43
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• WGK Germany：
  3
• 安全说明：
  S22,S24/25
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 9,9-Didodecylfluorene-2,7-diboronic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 9,9-Didodecylfluorene-2,7-diboronic acid
CAS number: 480424-86-0

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C37H60B2O4
Molecular weight: 590.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-硝基儿茶酚 、 9,9-双十二烷基芴-2,7-二硼酸 以 甲苯 为溶剂， 以93.69%的产率得到2-[9,9-Didodecyl-7-(5-nitro-1,3,2-benzodioxaborol-2-yl)fluoren-2-yl]-5-nitro-1,3,2-benzodioxaborole
  参考文献：
  名称：

  Conjugated bis and poly(dioxaborole)s for optical sensing of Lewis bases based on main-chain perturbations

  摘要：

  芴基双（二氧硼戊环）和聚（二氧硼戊环）被用来光学检测路易斯碱。对结合机制和信号转导的研究表明，这些二恶硼的反应灵敏、可逆且具有交叉反应性。由于二噁硼烷的延伸共轭作用，聚合物的反应能力增强。

  DOI：

  10.1039/c3cc41189c

文献信息

• π-Conjugated polymers with pendant coumarins: design, synthesis, characterization, and interactions with carbon nanotubes
  作者：Mokhtar Imit、Patigul Imin、Alex Adronov

  DOI：10.1139/cjc-2016-0205

  日期：2016.9

  polyfluorene backbone was efficient, especially for the polymers decorated with lower-generation dendrons. Each of the polymers was found to interact strongly with the surface of single-walled carbon nanotubes (SWNTs) in THF, and their ability to selectively disperse specific SWNT chiralities was investigated. Photoluminescence studies revealed that the strong polymer emission is efficiently quenched in the

  使用 Suzuki-Miyaura 交叉偶联反应设计和制备了一系列具有香豆素衍生物作为树枝状侧链一部分的新型芴基 π 共轭聚合物。使用带有用于溶解性的庚基侧链的新香豆素衍生物来确保最终聚合物的溶解性。发现从香豆素到聚芴骨架的荧光共振能量转移 (FRET) 是有效的，特别是对于用低代树枝状修饰的聚合物。发现每种聚合物都与 THF 中的单壁碳纳米管 (SWNT) 的表面发生强烈相互作用，并研究了它们选择性分散特定 SWNT 手性的能力。光致发光研究表明，在与 SWNT 相应的超分子复合物中，强聚合物发射被有效地淬灭。这种高猝灭效率表明香豆素-聚合物 FRET 系统可以超分子地结合到 (SWNTs 的表面以产生烯...
• Highly emissive excited-state intramolecular proton transfer (ESIPT) inspired 2-(2′-hydroxy)benzothiazole–fluorene motifs: spectroscopic and photophysical properties investigation
  作者：Vikas S. Padalkar、Daisuke Sakamaki、Norimitsu Tohnai、Tomoyuki Akutagawa、Ken-ichi Sakai、Shu Seki

  DOI：10.1039/c5ra17980g

  日期：——

  Tuning or switching of the solid state luminescence of organic materials is an attractive target for both basic research and practical applications. In the present study, solid state emissive compounds with very high quantum efficiencies (ΦF up to 68%) were achieved by chemical alteration of the excited state intramolecular proton transfer (ESIPT) 2-2′-hydroxy benzothiazole (HBT) unit. Five ESIPT inspired

  对于基础研究和实际应用而言，有机材料的固态发光的调谐或切换都是有吸引力的目标。在本研究中，具有非常高的量子效率的固态发射化合物（Φ ˚F高达68％）是由激发态分子内质子转移（ESIPT）2-2'-羟基苯并噻唑（HBT）单元的化学改变来实现的。通过以下方法合成了五种基于芴的ESIPT启发的化合物铃木偶联反应。通过在固体以及不同极性溶液中的稳态吸收，发射光谱和时间分辨发射方法研究了它们的光物理性质。荧光团在斯托克斯位移（〜232 nm）较大的情况下在UV区表现出吸收，并在可见光区表现出发射。高效黄色发光化合物显示非常高的量子产率（Φ ˚F= 55–68％），这是基于芴的ESIPT分子，据我们所知，这是固态中最高的量子产率。固态的荧光寿命在3.48-5.21 ns之间，而在氯仿（0.52-0.75 ns）溶液中，荧光寿命要短5-10倍。这些化合物的光学性质对介质的极性敏感。研究了结构特性，例如X