苯并噻吨二羧酸酐 | 14121-49-4

• 物质功能分类: 化学试剂 - 有机试剂 - 羧酸酐
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 中文名称: 苯并噻吨二羧酸酐
• 英文名称: benzothioxanthenedicarboxylic acid anhydride
• 英文别名: benzothioxanthene-3,4-dicarboxylic anhydride；benzo[k,l]thioxanthene-3,4-dicarboxylic anhydride；benzo[k,l]thioxanthene dicarboxylic anhydride；benzo[k,1] thioxanthene-3,4-dicarboxylic anhydride；Benzothioxanthen-3H-dicarbonsaeureanhydrid；benzo[kl]thioxanthene-3,4-dicarboxylic acid anhydride；4,10-benzothioxanthene-3,1'-dicarboxylic acid anhydride；Benzo-(k,l)-thioxanthen-3,4-dicarbonsaeureanhydrid；benzothioxanthene dicarboxylic anhydride；thioxantheno[2,1,9-def]isochromene-1,3-dione；thioxantheno[2,1,9-dej]isochromene-1,3-dione；benzo[k, l]thioxanthene-3,4-dicarboximide；1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione；14-oxa-8-thiapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
• CAS: 14121-49-4
• 化学式: C₁₈H₈O₃S
• mdl: MFCD00624327
• 分子量: 304.326
• InChiKey: YCJAUMBAFBAMFV-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  602.1±34.0 °C(Predicted)
• 密度：
  1.560±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Benzothioxanthene dicarboxylic anhydride
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Benzothioxanthene dicarboxylic anhydride
CAS number: 14121-49-4

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C18H8O3S
Molecular weight: 304.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：橙黄色粉末。

用途：它既是医药中间体，也是油溶性染料合成的中间体，并可用作染料中间体。

反应信息

• 作为反应物：
  描述：

  苯并噻吨二羧酸酐 在 氢氧化钾 作用下， 以 水 为溶剂， 反应 4.0h， 生成 1-甲氧基-2-苯基-3H-萘并[2,1,8-Mna]噻吨-3-酮
  参考文献：
  名称：

  Ayyangar, N. R.; Joshi, S. V.; Lugade, A. G., Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982, vol. 21, p. 842 - 845

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴-1,8-萘二甲酸酐 在 potassium carbonate 、 亚硝酸异戊酯 作用下， 以 乙二醇乙醚 为溶剂， 反应 2.5h， 生成 苯并噻吨二羧酸酐
  参考文献：
  名称：

  驱动苯并噻吨酰亚胺染料中的三重态数量：让我们扭转一下！

  摘要：

  苯并噻吨酰亚胺 (BTI) 湾区的微妙化学修饰被用来揭示自旋轨道耦合、π 系统畸变和系间交叉之间紧密交织的联系。

  DOI：

  10.1002/chem.202400191

文献信息

• 一种含有菲并咪唑结构的衍生物及其有机发光器件
  申请人：长春海谱润斯科技有限公司

  公开号：CN107915745A

  公开（公告）日：2018-04-17

  本发明提供一种含有菲并咪唑结构的衍生物及其有机发光器件，属于有机光电材料技术领域。该菲并咪唑结构的衍生物具有式(I)所示结构，菲并咪唑衍生物属于典型的缺电子体系，具有良好的接受电子能力，又是空间结构上共平面的稠环芳烃体系，具有适合的HOMO和LUMO能级，因此具有很好的电子迁移能力，是一类优异的电子传输材料；本发明材料的分子量介于500和900之间，其具有较高的玻璃态转换温度，从而具有良好的热稳定性，同时具有良好的真空蒸镀成膜性。由该衍生物制成的有机发光器件，表现出高效率、长寿命优点，优于现有常用OLED器件。
• 一种有机电致发光器件
  申请人：长春海谱润斯科技有限公司

  公开号：CN108658837A

  公开（公告）日：2018-10-16

  本发明公开了一种有机电致发光器件，涉及有机电致发光技术领域。采用本发明所述的通式I的化合物作为空穴传输层，通式II的化合物作为电子传输层，从而得到本发明所述的一种有机电致发光器件。使用本发明电子传输层材料和空穴传输层材料，能够提高电子传输层电子迁移速度的同时，通过对空穴传输层进行适当调整，使得发光层中载流子注入及复合几率增加，从而提高器件的发光效率和使用寿命，同时还能有效降低有机电致发光器件的驱动电压，解决了现有技术存在的发光效率低、使用寿命短、驱动电压高的问题，是一类性能优良的OLED材料。
• [EN] OLIGOMERIC DYES AND PREPARATION THEREOF<br/>[FR] COLORANTS OLIGOMERES ET LEUR PREPARATION
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2004024830A1

  公开（公告）日：2004-03-25

  The invention provides a method for preparing an oligomeric dye by reacting a first component oligomer, having a carbon-carbon backbone, comprising a plurality of polymerized monomer units comprising pendant reactive nucleophilic or electrophilic functional groups; and a dye component having a co-reactive functional group.These oligomeric dyes are suitable for use as additives to impart coloration or fluorescence to thermoplastic polymers, particularly olefinic polymers. The oligomeric dyes of the present invention advantageously are compatible in polymers where conventional dyes often have poor compatibility or solubility.

  该发明提供了一种制备寡聚染料的方法，通过反应第一组份寡聚体，其具有碳-碳骨架，包括含有众多聚合单体单元的，具有侧链反应性亲核或亲电性功能基团的；以及含有共反应功能基团的染料组份。这些寡聚染料适用于用作添加剂，为热塑性聚合物，特别是烯烃聚合物赋予色彩或荧光。本发明的寡聚染料在传统染料常常具有较差的兼容性或溶解性的聚合物中具有优势的兼容性。
• Mucoadhesive and bioadhesive polymers
  申请人：Carrington Dennis Stephen

  公开号：US20050281775A1

  公开（公告）日：2005-12-22

  This invention provides a method of augmenting an epithelial mucosal barrier, by contacting the barrier with a topical composition. This invention also provides the topical composition. The topical composition comprises, dispersed or dissolved in a topically acceptable vehicle, at least one polymer containing either a repeat unit of structure 1 or a repeat unit of structure 2, or a mixture This method and composition are useful in improving mucosal barrier function by, for example, topical application to an exposed or injured epithelial surface or by coating a compromised mucosal barrier in, for example, inflammatory bowel disease.

  这项发明提供了一种通过将一种局部组合物与屏障接触来增强上皮粘膜屏障的方法。这项发明还提供了该局部组合物。该局部组合物包括至少一种聚合物，该聚合物包含结构1的重复单元或结构2的重复单元，或二者的混合物，分散或溶解在局部可接受的载体中。该方法和组合物可用于通过将其局部应用于暴露或受伤的上皮表面，或通过在受损的粘膜屏障上涂覆，例如在炎症性肠病中，改善粘膜屏障功能。
• Functional fluorescent dyes
  申请人：3M Innovative Properties Company

  公开号：US20040016370A1

  公开（公告）日：2004-01-29

  Fluorescent functional dyes represented by the following formulas: 1 wherein R 1 is hydrogen or methyl; R 2 , R 3 , R 4 , R 5 , and R 6 are each independently selected from the group consisting of hydrogen, alkyl, aryl, alkoxy, aralkyl, alkaryl, halo, and trifluoromethyl; and L is a straight chain or branched chain alkylene containing 3 to about 15 carbon atoms, the alkylene group optionally containing one or more catenary heteroatoms.

  以下是以以下公式表示的荧光功能染料：其中R1为氢或甲基；R2、R3、R4、R5和R6分别独立地选自氢、烷基、芳基、烷氧基、芳基烷基、烷基芳基、卤素和三氟甲基的基团；L是含有3到约15个碳原子的直链或支链烷基，该烷基基团可选择性地含有一个或多个链内杂原子。