[9,9-二(2-乙基己基)-9H-芴-2,7-二基]二硼酸 | 264615-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: [9,9-二(2-乙基己基)-9H-芴-2,7-二基]二硼酸
• 中文别名: [9,9-双(2-乙基己基)-9H-芴-2,7-双]二硼酸；[9,9-双(2-乙基己基)-9H-芴-2,7-二基]二硼酸；9,9-双(2-乙基己基)-9H-芴-2,7-双(硼酸频哪醇酯)
• 英文名称: 9,9-bis(2-ethylhexyl)fluoren-2,7-yldiboronic acid
• 英文别名: 9,9-di(2'-ethylhexyl)fluorene-2,7-diboronic acid；[9,9-Bis(2-ethylhexyl)-9H-fluorene-2,7-diyl]bisboronic acid；[7-borono-9,9-bis(2-ethylhexyl)fluoren-2-yl]boronic acid
• CAS: 264615-47-6
• 化学式: C₂₉H₄₄B₂O₄
• 分子量: 478.288
• InChiKey: RBFWXVHGJQDSGG-UHFFFAOYSA-N

物化性质

• 熔点：
  >250 °C(lit.)
• 沸点：
  662.4±65.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  在指定条件下稳定，远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/38
• 安全说明：
  S26,S36
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319
• 危险性防范说明：
  P305 + P351 + P338

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : [9,9-Bis(2-ethylhexyl)-9H-fluorene-2,7-
diyl]bisboronic acid
CAS-No. : 264615-47-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/38 Irritating to eyes and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : [9,9-Bis(2-ethylhexyl)-9H-fluorene-2,7-diyl]bisboronic acid
9,9-Di(2′-ethylhexyl)fluorene-2,7-diboronic acid
Formula : C29H44B2O4
Molecular Weight : 478,28 g/mol
Component Concentration
[9,9-Bis(2-ethylhexyl)-9H-fluorene-2,7-diyl]bisboronic acid
CAS-No. 264615-47-6 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Borane/boron oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: > 250 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  [9,9-二(2-乙基己基)-9H-芴-2,7-二基]二硼酸 、 2-溴-9,9-二辛基芴 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 以54%的产率得到2,7-Bis(9,9-dioctylfluoren-2-yl)-9,9-bis(2-ethylhexyl)fluorene
  参考文献：
  名称：

  Oligofluorene blue emitters for cholesteric liquid crystal lasers

  摘要：

  We present the synthesis and characterization of an oligofluorene series whose chemical structure has been tuned to have amorphous nature, compatibility with liquid crystalline matrices and intrinsic chirality. Oligofluorenes are good blue emitters and the emission quantum yield is around 0.8 in the violet-blue range. The prepared materials are suitable for mirror-less laser applications based on a dye-doped liquid crystal resonator. We propose to use fluorene-based compounds to combine two necessary properties to achieve laser emission from cholesteric liquid crystal mixtures: chirality and luminescence. A good intensity emission and a fine tuning of the laser emission are demonstrated. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.01.006

文献信息

• BENZOBIS(THIADIAZOLE)-BASED ALTERNATING COPOLYMER AND PREPARATION THEREOF
  申请人：Park Jea Gun

  公开号：US20120302712A1

  公开（公告）日：2012-11-29

  Disclosed are a benzobis(thiadiazole)-based alternating copolymer, a method for preparing the same, and an organic electronic device including the same. The present disclosure provides a benzobis(thiadiazole)-based alternating copolymer represented by the chemical formula 1: wherein R 1 , R 2 or R 3 is hydrogen or C 1 -C 20 linear, branched or cyclic alkyl, X is S, O, NR 4 , PR 5 , or HC═CH, wherein R 4 or R 5 is C 1 -C 20 linear, branched or cyclic alkyl, Y is C, Si or N (in this case only one of R 2 and R 3 exists), and m is an integer from 1 to 3.

  本公开提供了一种基于苯并噻二唑的交替共聚物，其制备方法以及包括该共聚物的有机电子器件。本公开提供了一种由化学式1表示的基于苯并噻二唑的交替共聚物：其中，R1、R2或R3为氢或C1-C20线性、支链或环烷基，X为S、O、NR4、PR5或HC═CH，其中R4或R5为C1-C20线性、支链或环烷基，Y为C、Si或N（在这种情况下，仅R2和R3中的一个存在），m为1至3的整数。
• Benzobis(thiadiazole)-based alternating copolymer and preparation thereof
  申请人：Park Jea Gun

  公开号：US08519087B2

  公开（公告）日：2013-08-27

  Disclosed are a benzobis(thiadiazole)-based alternating copolymer, a method for preparing the same, and an organic electronic device including the same. The present disclosure provides a benzobis(thiadiazole)-based alternating copolymer represented by the chemical formula 1: wherein R1, R2 or R3 is hydrogen or C1-C20 linear, branched or cyclic alkyl, X is S, O, NR4, PR5, or HC═CH, wherein R4 or R5 is C1-C20 linear, branched or cyclic alkyl, Y is C, Si or N (in this case only one of R2 and R3 exists), and m is an integer from 1 to 3.

  本申请公开了一种基于苯并噻二唑的交替共聚物，其制备方法以及包括其的有机电子器件。本申请提供了一种基于苯并噻二唑的交替共聚物，其化学式表示为1：其中，R1、R2或R3为氢或C1-C20线性、支链或环烷基，X为S、O、NR4、PR5或HC═CH，其中，R4或R5为C1-C20线性、支链或环烷基，Y为C、Si或N（在这种情况下，仅R2和R3中的一个存在），m为1到3的整数。
• Oligofluorene blue emitters for cholesteric liquid crystal lasers
  作者：L.S. Chinelatto、J. del Barrio、M. Piñol、L. Oriol、M.A. Matranga、M.P. De Santo、R. Barberi

  DOI：10.1016/j.jphotochem.2010.01.006

  日期：2010.2

  We present the synthesis and characterization of an oligofluorene series whose chemical structure has been tuned to have amorphous nature, compatibility with liquid crystalline matrices and intrinsic chirality. Oligofluorenes are good blue emitters and the emission quantum yield is around 0.8 in the violet-blue range. The prepared materials are suitable for mirror-less laser applications based on a dye-doped liquid crystal resonator. We propose to use fluorene-based compounds to combine two necessary properties to achieve laser emission from cholesteric liquid crystal mixtures: chirality and luminescence. A good intensity emission and a fine tuning of the laser emission are demonstrated. (C) 2010 Elsevier B.V. All rights reserved.