噻吩-2,4-二羧酸 | 36157-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 噻吩-2,4-二羧酸
• 英文名称: 2,4-Thiophenedicarboxylic acid
• 英文别名: Thiophen-2,4-dicarbonsaeure；thiophene-2,4-dicarboxylic acid
• CAS: 36157-39-8
• 化学式: C₆H₄O₄S
• mdl: MFCD00159563
• 分子量: 172.161
• InChiKey: QYBBDSGVPGCWTO-UHFFFAOYSA-N

物化性质

• 熔点：
  299-301 °C
• 沸点：
  444.6±30.0 °C(Predicted)
• 密度：
  1.655±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Thiophene-2,4-dicarboxylic acid
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: Thiophene-2,4-dicarboxylic acid
CAS number: 36157-39-8

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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, refrigerated.
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: C6H4O4S
Molecular weight: 172.2

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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

反应信息

• 作为反应物：
  描述：

  噻吩-2,4-二羧酸 在 4-二甲氨基吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N²,N⁴-diphenylthiophene-2,4-dicarboxamide
  参考文献：
  名称：

  Anion Complexation Properties of Thiophene-2,4- and -2,5-biscarboxamides

  摘要：

  噻吩-2,4-和-2,5-二羧酰胺已经被合成，并显示在DMSO-d₆/水溶液中作为阴离子受体。一种N,N'-二苯基噻吩-2,5-二羧酰胺衍生物的氟化物络合物的晶体结构已经被解析，揭示了噻吩CH质子在固态中参与阴离子络合的过程。

  DOI：

  10.1135/cccc20041301
• 作为产物：
  描述：

  2,4-Dicyanothiophene 在 盐酸 作用下， 反应 6.0h， 以65%的产率得到噻吩-2,4-二羧酸
  参考文献：
  名称：

  Galvez, Carmen; Garcia, Francisco; Garcia, Juan, Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 1103 - 1108

  摘要：

  DOI：

文献信息

• Bifunctional cytotoxic agents
  申请人：Pfizer Inc.

  公开号：US10086085B2

  公开（公告）日：2018-10-02

  Cytotoxic dimers comprising CBI-based and/or CPI-based sub-units, antibody drug conjugates comprising such dimers, and to methods for using the same to treat cancer and other conditions.

  细胞毒性二聚体，包括基于CBI和/或基于CPI的亚单位，抗体药物偶联物包括这样的二聚体，以及使用同一方法治疗癌症和其他疾病。
• BIFUNCTIONAL CYTOTOXIC AGENTS
  申请人：Pfizer Inc.

  公开号：US20150209445A1

  公开（公告）日：2015-07-30

  Cytotoxic dimers comprising CBI-based and/or CPI-based sub-units, antibody drug conjugates comprising such dimers, and to methods for using the same to treat cancer and other conditions.

  细胞毒性二聚体包括基于CBI和/或CPI的亚单位，包括这种二聚体的抗体药物结合物，以及使用它们治疗癌症和其他疾病的方法。
• COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS
  申请人：Chodorowski-Kimmes Sandrine

  公开号：US20100239509A1

  公开（公告）日：2010-09-23

  The present patent application relates to a cosmetic or dermatological composition comprising, in a cosmetically or dermatologically acceptable medium, a polymer comprising: (a) a polymer backbone that may be obtained by reaction: of a polyol comprising 3 to 6 hydroxyl groups; of a monocarboxylic acid containing 6 to 32 carbon atoms; of a polycarboxylic acid comprising at least two carboxylic groups COOH, and/or of a cyclic anhydride such as a polycarboxylic acid and/or of a lactone comprising at least one carboxylic group COOH; and (b) at least one junction group linked to the said polymer backbone and capable of establishing H bonds with one or more partner junction groups, each pairing of a junction group involving at least three H (hydrogen) bonds. The patent application also concerns a cosmetic treatment process using the said composition.

  本专利申请涉及一种化妆品或皮肤科学组合物，包括在化妆品或皮肤科学上可接受的介质中，包含以下聚合物的组合物：(a) 由以下反应得到的聚合物骨架：含有3至6个羟基的多元醇；含有6至32个碳原子的一元羧酸；至少含有两个羧基COOH的多元羧酸，和/或类似多元羧酸的环酐和/或至少含有一个羧基COOH的内酯；以及(b) 至少一个连接到所述聚合物骨架的连接基团，并能够与一个或多个配对连接基团建立H键，每个连接基团的配对涉及至少三个H（氢）键。该专利申请还涉及使用所述组合物的化妆品处理过程。
• COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION
  申请人：GIUSTINIANI Pascal

  公开号：US20090028807A1

  公开（公告）日：2009-01-29

  The present application relates to a cosmetic or pharmaceutical, in particular lipstick, composition comprising a polycondensate The application also relates to a method of cosmetic treatment using the composition, the polycondensate thus defined and a method of preparing the polycondensate.

  本申请涉及一种化妆品或药用品，特别是口红，包括聚缩酸酯的组合物。该申请还涉及一种使用该组合物进行化妆处理的方法，所述聚缩酸酯的定义以及一种制备聚缩酸酯的方法。
• COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT
  申请人：Malle Gerard

  公开号：US20100272660A1

  公开（公告）日：2010-10-28

  The present application relates to a cosmetic or pharmaceutical composition comprising a polycondensate capable of being obtained by the reaction of the following monomers alone: of 10 to 30% by weight, relative to the total weight of the polycondensate, of one or more polyols comprising 3 to 6 hydroxyl groups; of 30 to 80% by weight, relative to the total weight of the polycondensate, of one or more linear, branched and/or cyclic, saturated or unsaturated, non-aromatic monocarboxylic acids comprising 6 to 32 carbon atoms; of 1 to 40% by weight, relative to the total weight of the polycondensate, of one or more polycarboxylic acids and/or cyclic anhydrides of such a polycarboxylic acid and/or lactones comprising at least one COOH group; and optionally of 0.1 to 15% by weight, relative to the total weight of the polycondensate, of one or more silicones having a hydroxyl and/or carboxyl functional group. The application also relates to a method of cosmetic treatment using the said composition, and the polycondensate thus defined.

  本申请涉及一种化妆品或药用组合物，包括由以下单体反应而得的聚缩酸酯：相对于聚缩酸酯的总重量，占10至30%的一种或多种含有3至6个羟基的多元醇；占30至80%的一种或多种线性、支链和/或环状、饱和或不饱和、非芳香族的单羧酸，含有6至32个碳原子；占聚缩酸酯总重量的1至40%的一种或多种多羧酸和/或多羧酸的环状酐和/或含有至少一个COOH基团的内酯；以及可选地占聚缩酸酯总重量的0.1至15%的一种或多种硅氧烷，具有羟基和/或羧基官能团。该申请还涉及使用所述组合物进行化妆处理的方法，以及如此定义的聚缩酸酯。