2,4,6-三苯基吡喃四氟化硼盐 | 448-61-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡喃类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4,6-三苯基吡喃四氟化硼盐
• 中文别名: 2,4,6-三苯基吡喃四氟硼酸盐
• 英文名称: 2,4,6-Triphenylpyrylium tetrafluoroborate
• 英文别名: 2,4,6-triphenylpyrylium;tetrafluoroborate
• CAS: 448-61-3
• 化学式: C23H17BF4O
• mdl: MFCD00012001
• 分子量: 396.2
• InChiKey: VQYPWMWEJGDSTF-UHFFFAOYSA-N

物化性质

• 熔点：
  250-251 °C(lit.)
• 稳定性/保质期：

  按规格使用和贮存，不会发生分解。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  6.71
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S24/25
• 危险类别码：
  R22,R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2932999099
• RTECS号：
  UZ1370000
• 危险标志：
  GHS07
• 危险性描述：
  H302 + H312 + H332,H315,H319,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,4,6-Triphenylpyrylium tetrafluoroborate
CAS-No. : 448-61-3
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]
Acute toxicity, Oral (Category 4)
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Dermal (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 + H312 + H332 Harmful if swallowed, in contact with skin or if inhaled
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust.
P280 Wear protective gloves/ protective clothing.
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)
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S22 Do not breathe dust.
S24/25 Avoid contact with skin and eyes.
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C23H17BF4O
Molecular Weight : 396,19 g/mol
Component Concentration
2,4,6-Triphenylpyrylium tetrafluoroborate
CAS-No. 448-61-3 -
EC-No. 207-186-4

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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, Hydrogen fluoride, 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. Evacuate personnel to safe areas. 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.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Hygroscopic.
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
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
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: powder
Colour: dark yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 250 - 251 °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
LD50 Intravenous - mouse - 56 mg/kg
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation Harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin 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: UZ1370000

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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. 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.

制备方法与用途

用途

2,4,6-三苯基吡喃四氟化硼盐是一种有机中间体，可用于制备稠环芳香烃。稠环芳香烃具有突出的光电性能，在有机化工方面起着越来越重要的作用。

制备

2,4,6-三苯基吡喃四氟化硼盐可通过一步反应由苯乙酮和苯甲醛制备得到。

在氮气保护下，将24.0g（0.2mol）苯乙酮、10.6g（1.0mol）苯甲醛及3.0mL BF₃·Et₂O的混合物加热至100℃反应2小时。冷却至室温后，加入适量乙醚进行沉淀过滤，并用乙醚洗涤。干燥后得到黄色晶体，产率为65%。

反应信息

• 作为反应物：
  描述：

  2,4,6-三苯基吡喃四氟化硼盐 生成 苯乙酮
  参考文献：
  名称：

  HARRIS D. J.; KAN G. Y. P.; TSCHAMBER T.; SNIECKUS V., CAN. J. CHEM., 1980, 58, NO 5, 494-500

  摘要：

  DOI：
• 作为产物：
  描述：

  反式-查耳酮 、 苯乙酮 以64%的产率得到
  参考文献：
  名称：

  BALDOVI, MARIA V.;GARCIA, HERMENEGILDO;MIRANDA, MIGUEL A.;PRIMO, JAIME, MONATSH. CHEM., 121,(1990) N, C. 371-375

  摘要：

  DOI：

文献信息

• Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases
  申请人：NPS PHARMACEUTICALS, INC.

  公开号：US20030013715A1

  公开（公告）日：2003-01-16

  The present invention provides compounds, and pharmaceutical compositions containing those compounds, that are active at metabotropic glutamate receptors. The compounds are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

  本发明提供了一种在代谢型谷氨酸受体上具有活性的化合物和含有这些化合物的药物组合物，这些化合物对治疗神经系统疾病和紊乱有用。本发明还公开了制备这些化合物的方法。
• Calcilytic compounds and method of use
  申请人：SmithKline Beecham Corporation

  公开号：US20020052509A1

  公开（公告）日：2002-05-02

  Calcilytic compounds and compositions and their use in treating abnormal bone or mineral homeostasis.

  Calcilytic化合物和组合物及其在治疗异常骨骼或矿物质稳态方面的用途。
• Calcilytic compounds
  申请人：Del Mar G. Eric

  公开号：US20050032850A1

  公开（公告）日：2005-02-10

  The present invention features calcilytic compounds. “Calcilytic compounds” refer to compounds able to inhibit calcium receptor activity. Also described are the use of calcilytic compounds to inhibit calcium receptor activity and/or achieve a beneficial effect in a patient; and techniques which can be used to obtain additional calcilytic compounds.

  本发明涉及钙解离化合物。 "钙解离化合物"是指能够抑制钙受体活性的化合物。还描述了使用钙解离化合物来抑制钙受体活性和/或在患者中获得有益效果的方法；以及可用于获得其他钙解离化合物的技术。
• Materials and structures for enhancing the performance of organic light emitting devices
  申请人：Thompson E. Mark

  公开号：US20050019604A1

  公开（公告）日：2005-01-27

  A device is provided, having an anode, a cathode, and a first organic layer disposed between the anode and the cathode. The first organic layer comprises a material that produces phosphorescent emission when a voltage is applied between the anode and the cathode. A second organic layer is disposed between the first organic layer and the cathode. The second organic layer is in direct contact with the first organic layer. The second organic layer may comprise an aromatic hydrocarbon material, comprising an aromatic hydrocarbon core optionally substituted, and wherein the substituents are the same or different, and each is selected from the group consisting of alkyl, aryl, heteroalkyl, substituted aryl, substituted heteroaryl and heterocyclic groups. The second organic layer may comprise a material having a dipole moment less than about 2.0 debyes, such that the device has an unmodified external quantum efficiency of at least about 3% and a lifetime of at least about 1000 hours at an initial luminance of about 100 to about 1000 cd/m 2 . The second organic layer may be in direct contact with the cathode, or there may be a separate organic layer between the second organic layer and the cathode.

  该设备包括一个阳极、一个阴极和一个第一有机层，该第一有机层位于阳极和阴极之间。第一有机层包括一种材料，当在阳极和阴极之间施加电压时，该材料产生磷光发射。第二有机层位于第一有机层和阴极之间，且与第一有机层直接接触。第二有机层可以包括一个芳香族碳氢化合物材料，包括一个芳香族碳氢核心，该核心可以选择性地被取代，且取代基相同或不同，每个取代基选自烷基、芳基、杂原子烷基、取代芳基、取代杂原子芳基和杂环基组成的群。第二有机层可以包括一个具有偶极矩小于约2.0德拜的材料，使得该设备具有至少约3%的未修改外部量子效率和在初始亮度约100到约1000 cd/m2时至少约1000小时的寿命。第二有机层可以直接接触阴极，或者第二有机层和阴极之间可以有一个单独的有机层。
• 5-amino or substituted amino 1,2,3-triazoles
  申请人：Merck & Co., Inc.

  公开号：US04590201A1

  公开（公告）日：1986-05-20

  Novel 5-amino or substituted amino 1,2,3-triazoles are disclosed as having anticoccidial activity. The compounds are useful for controlling coccidiosis when administered in minor quantities to animals, in particular to poultry, usually in admixture with animal sustenance.

  揭示了具有抗球虫活性的新型5-氨基或取代氨基1,2,3-三唑化合物。这些化合物在与动物食品混合后以少量给予动物，特别是家禽，对于控制球虫病非常有用。

表征谱图