噻吩[3,2-b]噻吩-2-硼酸 | 160032-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 中文名称: 噻吩[3,2-b]噻吩-2-硼酸
• 中文别名: 噻吩[3,2-B]噻吩-2-硼酸(含有数量不等的酸酐)；噻吩并[3,2-b]噻吩-2-硼酸；噻吩[3,2-B]噻吩-2-硼酸
• 英文名称: thieno[3,2-b]thiophene-2-boronic acid
• 英文别名: thieno[3,2-b]thiophen-2-ylboronic acid；thieno[3,2-b]thiophen-5-ylboronic acid
• CAS: 160032-40-6
• 化学式: C₆H₅BO₂S₂
• mdl: MFCD08059468
• 分子量: 184.048
• InChiKey: PVQAASIVXYZXFF-UHFFFAOYSA-N

物化性质

• 沸点：
  400.7±48.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H315,H319

SDS

Thieno[3,2-b]thiophene-2-boronic Acid (contains Revision number: 5
varying amounts of Anhydride)
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Thieno[3,2-b]thiophene-2-boronic Acid (contains varying amounts of Anhydride)

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Thieno[3,2-b]thiophene-2-boronic Acid (contains varying amounts of Anhydride)
Components:
Percent: ....
160032-40-6
CAS Number:
Chemical Formula: C6H5BO2S2

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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.
Thieno[3,2-b]thiophene-2-boronic Acid
(contains varying amounts of Anhydride)

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. 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.

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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.
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:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
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.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
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.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
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.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: Very pale yellow - Pale yellow green
Thieno[3,2-b]thiophene-2-boronic Acid
(contains varying amounts of Anhydride)

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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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, Boron oxides , Sulfur oxides
products:

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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
NTP = No data available
Reproductive toxicity: No data available

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

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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.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not listed
UN-No:
Thieno[3,2-b]thiophene-2-boronic Acid
(contains varying amounts of Anhydride)

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  噻吩[3,2-b]噻吩-2-硼酸 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成
  参考文献：
  名称：

  Thieno[3,2-b]thiophene derivatives exhibiting semiconducting liquid-crystalline phases at lower temperatures

  摘要：

  我们合成了基于噻吩并[3,2-b]噻吩的新型液晶半导体，该半导体带有扩展的π-共轭介原，具有高溶解性和低相变温度。特别是，与已报道的液晶噻吩并[3,2-b]噻吩衍生物相比，介原单元的横向甲基取代可在较低温度下形成高效的自组织 LC 域。偏振光学显微镜在 75 至 125 ℃ 的宽温度范围内观察到了 Smectic A 和 Smectic E 相。利用飞行时间（TOF）法测定了空穴迁移率，计算结果高达 2 × 10-3 cm2 V-1 s-1。在此，我们报告了新型噻吩并[3,2-b]噻吩基液晶半导体的合成、热物理和载流子传输特性。

  DOI：

  10.1039/c4ra11326h
• 作为产物：
  描述：

  、 硼酸三丁酯 生成 噻吩[3,2-b]噻吩-2-硼酸
  参考文献：
  名称：

  Prim Damian, Kirsch Gilbert, J. Chem. Soc. Perkin Trans. 1, (1994) N 18, S 2603-2606

  摘要：

  DOI：

文献信息

• UV–vis absorption and fluorescence spectra, solvatochromism, and application to pH sensors of novel xanthene dyes having thienyl and thieno[3,2- b ]thienyl rings as auxochrome
  作者：Masaki Matsui、Takaya Yamamoto、Kenta Kakitani、Siddanagouda Biradar、Yasuhiro Kubota、Kazumasa Funabiki

  DOI：10.1016/j.dyepig.2016.11.013

  日期：2017.4

  Novel xanthene dyes having thienyl and thieno[3,2-b]thienyl rings as auxochrome have been synthesized. The UV–vis absorption maximum in dichloromethane was in the order of the auxochrome: NEt2 (Rhodamine B, 558 nm) < 2-thienyl (569 nm) < 5-thieno[3,2-b]thienyl (608 nm). These new xanthene dyes colored only in non-hydrogen-bond accepting solvents such as chloroform and dichloromethane. The lactone precursors

  合成了具有噻吩基和噻吩并[3,2- b ]噻吩基环作为辅助色素的新型x吨染料。在二氯甲烷中，UV-vis的最大吸收量为辅助色素的顺序：NEt 2（若丹明B，558 nm）<2-噻吩基（569 nm）<5-噻吩并[3,2- b ]噻吩基（608 nm）。这些新的x吨染料仅在非氢键接受溶剂（如氯仿和二氯甲烷）中着色。的噻吩基和噻吩并[3,2-的内酯前体b ]通过添加强酸，其p着色噻吩基衍生物ķ值小于-2.2低和0.23，分别，而通过添加弱酸其p着色若丹明B的ķ值低于4.7。这些结果源自杂芳族化合物比二乙氨基辅助色素对彩色阳离子染料的稳定性差。
• CO₂-promoted oxidative cross-coupling reaction for C–S bond formation via masked strategy in an odourless way
  作者：Zongjun Qiao、Nanyang Ge、Xuefeng Jiang

  DOI：10.1039/c5cc03038b

  日期：——

  Cu-catalyzed direct oxidative cross-coupling between boronic acids and masked sulfides delivering thioethers was described, in which the SO3-, as a mask, has shown a distinctive effect on oxidative cross-coupling condition....

  描述了硼酸与掩蔽的硫化物之间的铜催化直接氧化交叉偶联反应，从而传递了硫醚，其中作为掩膜的SO3-对氧化交叉偶联条件表现出独特的作用。
• PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES
  申请人：KANTO KAGAKU KABUSHIKI KAISHA

  公开号：US20200131193A1

  公开（公告）日：2020-04-30

  [Problem] A problem is presented in that conventional photochromic compounds cannot be considered adequate in terms of the colorizing/decolorizing rate and durability, and the production process therefore has many steps. The present invention provides an industrially applicable photochromic compound that has both a rapid colorizing/decolorizing reaction and high durability and can also be synthesized at a low cost. [Solution] This compound is characterized in that etheric oxygen atoms are bonded to the carbon atoms at position 1 of a pyranoquinazoline (8H-pyrano[3,2-f]quinazoline) skeleton and position 10 of a naphthopyran (3H-naphtho[2,1-b]pyran) skeleton, said compound having photochromic properties and being a photochromic compound that has both a rapid colorizing/decolorizing reaction and high durability. Also provided is an industrially applicable photochromic compound that can be synthesized at a low cost.

  [问题] 传统光致变色化合物在着色/褪色速率和耐久性方面被认为不够充分，因此生产过程步骤繁多。本发明提供了一种工业上可应用的光致变色化合物，该化合物具有快速的着色/褪色反应和高耐久性，并且能够以低成本合成。[解决方案] 该化合物特征在于，吡喃喹唑啉（8H-吡喃[3,2-f]喹唑啉）骨架的1位碳原子和萘并吡喃（3H-萘并[2,1-b]吡喃）骨架的10位碳原子上连接有醚氧原子，该化合物具有光致变色特性，是一种具有快速着色/褪色反应和高耐久性的光致变色化合物。同时还提供了一种工业上可应用的、能够以低成本合成的光致变色化合物。
• 유기전기발광소자용 유기금속 화합물, 그의 제조방법 및 그를 이용한 유기전기발광소자
  申请人：Hongik University Industry-Academia Cooperation Foundation 홍익대학교 산학협력단(220060514623) BRN ▼105-82-13617

  公开号：KR20150090508A

  公开（公告）日：2015-08-06

  본 발명은 유기전기발광소자용 유기금속 화합물, 그의 제조방법 및 그를 이용한 유기전기발광소자에 관한 것이다. 본 별명의 하기 화학식 1로 표시되는 유기전기발광소자용 유기금속 화합물은 리간드 내에 전자 밀도와 전자 전달 특성을 높일 수 있는 황 화합물(Ar)을 포함하고, 피리딘의 질소 원자의 전자 밀도를 낮추어 줄 수 있는 작용기(R)로 설계하여 발광파장 스펙트럼에서 적색 인광 특성을 가지는 발광재료로서 유용하다. 나아가, 본 발명은 상기 유기금속 화합물으로 이루어진 발광층을 포함함으로써, 색 순도 및 발광효율이 우수한 유기전기발광소자를 제공할 수 있다. 화학식 1 (상기 화학식 1에서, Ar, R, R, R및 R는 명세서에서 정의한 바와 같다.)

  本发明涉及有机电致发光器件用有机金属化合物、其制备方法以及利用该化合物的有机电致发光器件。所述有机金属化合物，用化学式1表示，包含硫化合物（Ar），可提高配体内的电子密度和电子传输特性，并设计为具有降低吡啶氮原子电子密度的作用基团（R），作为具有红光发射特性的发光材料在发光波长谱中有用。此外，本发明通过包括由上述有机金属化合物构成的发光层，可以提供色纯度和发光效率优异的有机电致发光器件。化学式1（在上述化学式1中，Ar、R、R、R和R如规范中所定义。）
• COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES
  申请人：JNC Corporation

  公开号：US20140316137A1

  公开（公告）日：2014-10-23

  Coelenterazine analogs with different luminescence properties from conventional ones and coelenteramide analogs with different fluorescence properties from conventional ones have been desired. The invention provides coelenterazine analogs modified at the 8-position of coelenterazine and coelenteramide analogs modified at the 2- or 3-position of coelenteramide.

  寻求具有不同发光特性的螅螅素类似物和具有不同荧光特性的螅螅酰胺类似物已经被期望。该发明提供了在螅螅素的8位进行改性的螅螅素类似物，以及在螅螅酰胺的2位或3位进行改性的螅螅酰胺类似物。