4-苯基萘-1-基硼酸 | 372521-91-0

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-苯基萘-1-基硼酸
• 中文别名: 4-苯基-1-萘硼酸；(1-苯基萘-4-基)硼酸
• 英文名称: (4-phenylnaphthalen-1-yl)boronic acid
• 英文别名: (4-phenylnaphthalene-1-yl)boronic acid；4-phenylnaphthaleneboronic acid
• CAS: 372521-91-0
• 化学式: C₁₆H₁₃BO₂
• 分子量: 248.089
• InChiKey: BSKLSKWOKGVQHF-UHFFFAOYSA-N

物化性质

• 沸点：
  449.4±48.0 °C(Predicted)
• 密度：
  1.23

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥环境中保存。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-Phenyl(Napthalene-1-Yl)Boronic Acid
: BML00310
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Serious eye damage (Category 1), H318
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R41
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
Causes serious eye damage.
Precautionary statement(s)
Wear protective gloves/ eye protection/ face protection.
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
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 248,09 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-Phenyl(Napthalene-1-Yl)Boronic Acid
Eye Dam. 1; H318 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
4-Phenyl(Napthalene-1-Yl)Boronic Acid
Xi, R41 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting 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 vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
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 formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
Face shield and safety glasses 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
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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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 No data available
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) Auto-ignition 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
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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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 sensitisation
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
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
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. 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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用(1-苯基萘-4-基)硼酸可用作有机合成中间体和医药中间体，在实验室研发和化工生产中广泛使用。

反应信息

• 作为反应物：
  描述：

  4-苯基萘-1-基硼酸 在 sodium chlorite 、 sodium dihydrogenphosphate 、 四(三苯基膦)钯 、 2-甲基-2-丁烯 、 N-Boc-L-叔亮氨酸 、 palladium diacetate 、 sodium carbonate 、 potassium carbonate 、 potassium hydrogencarbonate 、 silver carbonate 作用下， 以 甲醚 、 水 、 N,N-二甲基甲酰胺 、 异丙醇 、 叔丁醇 为溶剂， 反应 78.0h， 生成 (S)-methyl (E)-3-phenyl-2-(4-phenyl-2-((triisopropylsilyl)ethynyl)naphthalen-1-yl)acrylate
  参考文献：
  名称：

  通过钯催化的不对称 C-H 炔基化开发轴向手性苯乙烯型羧酸配体

  摘要：

  公开了一种用于开发新型轴向手性苯乙烯型羧酸的弱配位羧酸盐导向钯催化的阻转选择性 C-H 炔基化方法。这种转化表现出良好的产量（高达 85%）、出色的对映控制（高达 99% ee）和温和的条件。值得注意的是，所得炔基羧酸衍生物的合成效用通过各种衍生化以及它们在不对称 C-H 活化中作为手性配体的潜力得到了证明。

  DOI：

  10.1021/acs.orglett.1c02692
• 作为产物：
  描述：

  1-苯基萘 在 正丁基锂 、 硼酸三甲酯 、 盐酸 、 水 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 反应 38.75h， 以50%的产率得到4-苯基萘-1-基硼酸
  参考文献：
  名称：

  WO2007/86695

  摘要：

  公开号：

文献信息

• 一种螺环有机光电材料及其制备方法和应用
  申请人：中节能万润股份有限公司

  公开号：CN106588531B

  公开（公告）日：2019-04-02

  本发明涉及一种螺环有机光电材料、其制备方法以及包括该有机材料的有机电致发光器件。本发明提供的有机电致发光器件中，由于含有本发明提供的有机光电材料，能够大大提高有机电致发光器的量子效率、电流效率、功率效率以及亮度，与此同时，大幅降低了驱动电压，由此显著提高了有机电致发光器的寿命。
• NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME
  申请人：Kawamura Masahiro

  公开号：US20090008605A1

  公开（公告）日：2009-01-08

  A naphthalene derivative represented by the following formula (1) is provided. In the formula, Ar 1 to Ar 4 each represent an aromatic hydrocarbon cyclic group having 6 to 18 carbon atoms forming a ring. The aromatic hydrocarbon cyclic group has none of anthracene skeleton, pyrene skeleton, aceanthrylene skeleton and naphthacene skeleton. n, m and 1 each represent an integer in a range of 1 to 5. p represents an integer in a range of o to 5. When n, m, 1 and p each are 2 or more, a plurality of Ar 1 to Ar 4 may be mutually the same or different.

  提供以下公式（1）表示的萘衍生物。在该公式中，Ar1至Ar4分别表示具有6至18个碳原子形成环的芳香烃环族。芳香烃环族不包含蒽骨架、芘骨架、蒽芘骨架和萘芘骨架。n、m和l分别表示范围在1到5的整数。p表示范围在0到5的整数。当n、m、l和p均为2或更多时，Ar1至Ar4的多个可能相互相同或不同。
• 유기발광 화합물 및 이를 포함하는 유기전계발광소자
  申请人：PnH tech (주)피엔에이치테크(120100135796) Corp. No ▼ 131111-0237931BRN ▼129-86-36614

  公开号：KR20150124637A

  公开（公告）日：2015-11-06

  본 발명은 유기전계발광소자에 채용되는 유기발광 화합물에 관한 것으로서, 하기 [화학식 1]로 표시되는 것을 특징으로 하고, 이를 정공수송 가능층 또는 발광층 내의 인광 호스트 화합물로 채용하는 경우 구동전압, 휘도 및 장수명 등의 발광특성이 우수한 유기전계발광소자를 구현할 수 있다. [화학식 1]

  This is the Chinese translation of the text you provided: 本发明涉及有机发光化合物，该有机发光化合物用于有机电致发光器件，其特征在于其被表示为下式[化学式1]，当将其用作电荷传输层或发光层内的发光宿主化合物时，可以实现驱动电压、亮度和寿命等发光特性优异的有机电致发光器件。 [化学式1]
• [EN] ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME<br/>[FR] COMPOSÉS ÉLECTROLUMINESCENTS ORGANIQUES ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT CEUX-CI
  申请人：ROHM & HAAS ELECT MAT

  公开号：WO2014088290A1

  公开（公告）日：2014-06-12

  The present invention relates to a novel organic electroluminescent compound and an organic electroluminescent device comprising the same. Using the organic electroluminescent compound according to the present invention, an organic electroluminescent device can have a long lifespan, a low driving voltage, high current efficiency and high power efficiency.

  本发明涉及一种新型有机电致发光化合物以及包括该化合物的有机电致发光器件。利用本发明的有机电致发光化合物，有机电致发光器件可以具有长寿命、低驱动电压、高电流效率和高功率效率。
• 有机电致发光材料及其应用
  申请人：北京鼎材科技有限公司

  公开号：CN112110896A

  公开（公告）日：2020-12-22

  本发明涉及一种化合物，其特征在于，具有如式(1)所示的结构式：其中，L1为取代或未取代的C6～C30的亚芳基或者取代或未取代的C3～C30的亚杂芳基；R1表示1～6个取代基，R2表示1～3个取代基，每个R1和R2各自独立地选自H、C1～C12的烷基、C3～C12的环烷基、C1～C12的烷氧基、卤素、氰基、硝基、羟基、硅烷基、氨基、取代或未取代的C6～C30的芳基氨基、取代或未取代的C3～C30的杂芳基氨基、取代或未取代的C6～C30的芳基、取代或未取代的C3～C30的杂芳基中的一种；Ar2和Ar3各自独立地选自取代或未取代的C6～C30的芳基、取代或未取代的C3～C30的杂芳基中的一种；Ar1具有如式(2)所示的结构式：本发明还涉及含有该化合物的有机电致发光器件。