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1,3,5-三(2-噻吩基)苯 | 15509-95-2

中文名称
1,3,5-三(2-噻吩基)苯
中文别名
1,3,5-三(噻吩-2-基)苯
英文名称
1,3,5-tris(2-thienyl)benzene
英文别名
1,3,5-tri(thiophen-2-yl)benzene;1,3,5-tri(2'-thienyl)benzene;2-(3,5-dithiophen-2-ylphenyl)thiophene
1,3,5-三(2-噻吩基)苯化学式
CAS
15509-95-2
化学式
C18H12S3
mdl
——
分子量
324.491
InChiKey
UBHPRZXDFVCNHZ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    157.0 to 161.0 °C
  • 沸点:
    298°C/10mmHg(lit.)
  • 密度:
    1.278±0.06 g/cm3(Predicted)
  • 溶解度:
    溶于甲苯

计算性质

  • 辛醇/水分配系数(LogP):
    5.9
  • 重原子数:
    21
  • 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:
    84.7
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • WGK Germany:
    3
  • 危险标志:
    GHS06
  • 危险性描述:
    H301
  • 危险性防范说明:
    P301 + P310
  • 海关编码:
    2934999090
  • 包装等级:
    III
  • 危险类别:
    6.1
  • 危险品运输编号:
    2811
  • 储存条件:
    室温

SDS

SDS:a2518c46e9e425c54915ffb82668a5d8
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1,3,5-Tri(2-thienyl)benzene Revision number: 5
SAFETY DATA SHEET

Section 1. IDENTIFICATION
Product name: 1,3,5-Tri(2-thienyl)benzene

Revision number: 5

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 1,3,5-Tri(2-thienyl)benzene
Percent: >98.0%(GC)
CAS Number: 15509-95-2
Chemical Formula: C18H12S3

Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
1,3,5-Tri(2-thienyl)benzene

Section 5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: Crystal- Powder
Colour: Very pale yellow - Pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:159°C
298°C/1.3kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
No data available
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents]
Toluene
Soluble:
Log Pow: 5.31
1,3,5-Tri(2-thienyl)benzene

Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides
products:

Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
5.31
Log Pow:
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No: Not listed

Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
1,3,5-Tri(2-thienyl)benzene


SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1,3,5-三(2-噻吩基)苯正丁基锂溶剂黄146 作用下, 以 四氢呋喃正己烷氯仿 为溶剂, 反应 1.0h, 生成 1,3,5-tris(3-bromo-5-hexylthiophen-2-yl)benzene
    参考文献:
    名称:
    Synthesis and Properties of Novel C3-Symmetric Coplanar Chromophores
    摘要:
    New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.
    DOI:
    10.1021/ol201466z
  • 作为产物:
    描述:
    2-乙炔噻吩 在 indium(III) chloride 、 2-碘苯酚 作用下, 以 氯苯 为溶剂, 反应 24.0h, 以60%的产率得到1,3,5-三(2-噻吩基)苯
    参考文献:
    名称:
    通过InCl 3 / 2-碘苯酚催化的炔烃环三聚反应区域选择性合成1,3,5-取代的苯
    摘要:
    在2-碘苯酚的存在下,新型的铟(III)催化炔烃的环三聚反应以极高的收率和完全的区域选择性提供了1,3,5-取代的苯。根据现代绿色化学的概念,反应条件是耐空气的,并且原子经济的。该方法提供了快速有效地获得1,3,5-取代苯的途径。
    DOI:
    10.1021/jo201010d
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文献信息

  • 一种吲哚啉类化合物及其用途
    申请人:河北师范大学
    公开号:CN107915733B
    公开(公告)日:2020-05-26
    本发明公开了一种吲哚啉类化合物。该化合物具有式(I)所示结构:式(I)中:R1为C1~C12烃基或C1~C12烷氧基或C4~C20杂环基,其中所说杂环基的杂原子为N、S或O;R2为C1~C12烃基。本发明所说的化合物可作为合成多种敏化染料、空穴传输材料以及电子传输材料的中间体。
  • 一种含咔唑单元的化合物及其用途
    申请人:河北师范大学
    公开号:CN107915753B
    公开(公告)日:2020-09-15
    本发明公开了一种含咔唑单元的化合物及其用途。所说的咔唑化合物具有式(I)所示结构:式(I)中:R1为C1~C12烃基或C1~C12烷氧基;R2为C1~C12烃基;R3为苯基;R4为噻吩基。本发明所说的咔唑类化合物,可用作钙钛矿太阳电池、有机小分子太阳电池、电致发光器件等光电器件中的空穴传输材料。
  • Sulfated tungstate catalyzed synthesis of C 3 -symmetric 1,3,5-triaryl benzenes under solvent-free condition
    作者:Ganesh D. Wagh、Krishnacharya G. Akamanchi
    DOI:10.1016/j.tetlet.2017.06.055
    日期:2017.8
    Sulfated tungstate catalyzed environmentally benign, simple, one pot, and solvent-free method has been developed for the synthesis of 1,3,5-triarylbenzenes via cyclic self-condensation of three molecules of aryl ketones. High yields, short reaction time, easy work-up procedure and recycling of the catalyst endorse advantage.
    已开发出硫酸钨酸盐催化的环境友好,简单,一锅又无溶剂的方法,用于通过三个分子的芳基酮的循环自缩合反应来合成1,3,5-三芳基苯。产率高,反应时间短,后处理容易和催化剂的循环利用具有优势。
  • Synthesis ofC3-Symmetric Nano-Sized Polyaromatic Compounds by Trimerization and Suzuki−Miyaura Cross-Coupling Reactions
    作者:Sambasivarao Kotha、Dhurke Kashinath、Kakali Lahiri、Raghavan B. Sunoj
    DOI:10.1002/ejoc.200400257
    日期:2004.10
    Various C3-symmetric molecules were prepared by trimerization of acetyl aromatic compounds and subsequently coupled with various boronic acids under Pd0 catalysis conditions to generate oligoaryl/-heteroaryl C3-symmetric molecules. Several furan- and thiophene-containing star-shaped molecules were prepared by the use of Suzuki−Miyaura cross-coupling as a key step. Structural and conformational details
    通过乙酰芳族化合物的三聚反应制备了各种 C3 对称分子,随后在 PdO 催化条件下与各种硼酸偶联以生成低聚芳基/-杂芳基 C3 对称分子。通过使用 Suzuki-Miyaura 交叉偶联作为关键步骤,制备了几种含有呋喃和噻吩的星形分子。使用 AM1 方法通过半经验分子轨道理论探索结构和构象细节。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
  • Triple condensation of aryl methyl ketones catalyzed by amine and trifluoroacetic acid: straightforward access to 1,3,5-triarylbenzenes under mild conditions
    作者:Shao-Liang Zhang、Zhao-Feng Xue、Ya-Ru Gao、Shuai Mao、Yong-Qiang Wang
    DOI:10.1016/j.tetlet.2012.03.008
    日期:2012.5
    An efficient triple condensation reaction of aryl methyl ketones catalyzed by ethylenediamine and trifluoroacetic acid was reported. A broad scope of 1,3,5-triarylbenzenes was obtained in good to excellent yields. The reaction provides a novel and practical approach to access organic materials of polycyclic aromatic hydrocarbons under mild conditions.
    报道了乙二胺和三氟乙酸催化的芳基甲基酮的有效三重缩合反应。以良好至优异的产率获得了广泛的1,3,5-三芳基苯。该反应为在温和条件下接触多环芳烃的有机材料提供了一种新颖而实用的方法。
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同类化合物

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