4-氨基-2-溴噻唑氢溴酸盐 | 41731-35-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-氨基-2-溴噻唑氢溴酸盐
• 英文名称: 2-bromo-1,3-thiazol-4-amine hydrobromide
• 英文别名: 2-Bromo-1,3-thiazol-4-amine;hydron;bromide；2-bromo-1,3-thiazol-4-amine;hydron;bromide
• CAS: 41731-35-5
• 化学式: BrH*C₃H₃BrN₂S
• 分子量: 259.952
• InChiKey: MRDKFGRRIBRLBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromothiazol-4-amine hydrobromide
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: 2-Bromothiazol-4-amine hydrobromide
CAS number: 41731-35-5

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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, under −20◦C.
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: C3H3BrN2S.BrH
Molecular weight: 260.0

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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, nitrogen oxides, hydrogen bromide, 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

概述

4-氨基-2-溴噻唑氢溴酸盐是一种杂环有机物，也是一种有机中间体。

应用

4-氨基-2-溴噻唑氢溴酸盐可用于合成异靛蓝类结构。这类化合物具有良好的共平面性、易于形成较好的π-π堆积以及不错的环境稳定性，因此作为重要的受体单元被广泛应用于有机场效应晶体管和有机太阳能电池等光电器件领域。

反应信息

• 作为反应物：
  描述：

  4-氨基-2-溴噻唑氢溴酸盐 在 水 作用下， 生成 4-氨基-1,3-噻唑-2(5H)-酮
  参考文献：
  名称：

  Polyfunctional Aliphatic Compounds. IV. The Cyclization of Nitriles by Halogen Acids. A New Synthesis of Thiazoles

  摘要：

  DOI：

  10.1021/jo01042a036
• 作为产物：
  描述：

  氰硫基酸氰基甲酯 在 HBr gas 作用下， 以 乙醚 、 正戊烷 为溶剂， 生成 4-氨基-2-溴噻唑氢溴酸盐
  参考文献：
  名称：

  4-Aminothiazole

  摘要：

  4-氨基噻唑是通过对4-三氟乙酰胺基噻唑进行碱性水解制备的稳定有用形式。还制备了4-磺酰噻唑和2-(4-噻唑基)-吲哚。

  公开号：

  US03939172A1

文献信息

• [EN] INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL<br/>[FR] INHIBITION DE CANAL IONIQUE À POTENTIEL DE RÉCEPTEUR TRANSITOIRE A1
  申请人：HYDRA BIOSCIENCES INC

  公开号：WO2016044792A1

  公开（公告）日：2016-03-24

  The present invention relates to pharmaceutical compounds of the Formula (I), or a pharmaceutically acceptable salt or composition thereof, and methods of their use for the treatment of pain, respiratory conditions, as well as inhibiting the Transient Receptor Potential Al ion channel (TRPA1).

  本发明涉及化合物的公式（I），或其药用可接受的盐或组合物，并其用于治疗疼痛、呼吸状况以及抑制瞬时受体电位Al离子通道（TRPA1）的方法。
• Anti-ulcer composition
  申请人：John Wyeth & Brother Limited

  公开号：US04148904A1

  公开（公告）日：1979-04-10

  The invention relates to pharmaceutical compositions for use in treating ulcers or hypersecretion in mammals comprising a compound of formula Ia ##STR1## WHERE Hal is a halogen atom, R.sup.1 is hydrogen or alkyl of 1-6 carbon atoms, R is hydrogen, alkyl of 1-5 carbon atoms (which may be substituted by two or more chlorine or bromine atoms), alkenyl of 2 to 5 carbon atoms, perfluoroalkyl of 1-5 carbon atoms, cycloalkyl of 3 to 5 carbon atoms, R.sup.3 is hydrogen, alkyl of 1-6 carbon atoms, or COR.sup.4 where R.sup.4 is as defined for R and R and R.sup.4 may be the same or different, and a pharmaceutically acceptable carrier. Methods of treatment of affected mammals and some novel compounds are also described.

  该发明涉及用于治疗哺乳动物的溃疡或高分泌的药物组合物，包括化合物Ia的公式##STR1##其中Hal是卤素原子，R.sup.1是氢或1-6个碳原子的烷基，R是氢，1-5个碳原子的烷基（可能被两个或更多氯或溴原子取代），2-5个碳原子的烯烃基，1-5个碳原子的全氟烷基，3-5个碳原子的环烷基，R.sup.3是氢，1-6个碳原子的烷基，或COR.sup.4，其中R.sup.4的定义与R相同，R和R.sup.4可能相同也可能不同，并且含有药用载体。还描述了治疗受影响哺乳动物的方法和一些新化合物。
• 一种噻唑靛红类化合物及其制备方法
  申请人：中国科学院青岛生物能源与过程研究所

  公开号：CN109836439A

  公开（公告）日：2019-06-04

  本发明涉及一种噻唑靛红类化合物及其制备方法。所述噻唑靛红类化合物的结构通式如（I）所示，其制备方法以4‑噻唑胺酸盐为原料，经过酰化、偶联、还原、草酰胺化、环化等一系列步骤，成功得到了结构式Ⅰ所示的噻唑靛红类化合物。本发明的化合物可以作为医药中间体的重要结构单元，也可以作为一种重要的受体单元—噻唑异靛蓝的前驱体，在医药和有机光电材料领域具有很好的应用前景。（Ⅰ）。
• 一种噻唑异靛蓝类化合物及其制备方法
  申请人：中国科学院青岛生物能源与过程研究所

  公开号：CN108727413A

  公开（公告）日：2018-11-02

  本发明涉及一种噻唑异靛蓝类化合物及其制备方法。所述噻唑异靛蓝类化合物的结构通式如（I）所示，其制备方法以4‑噻唑胺酸盐为原料，经过酰化、烷基化、水解、氯化、环化等一系列步骤，成功得到了结构式Ⅰ所示的噻唑异靛蓝类化合物。本发明的化合物可以作为重要的受体单元，在有机光电材料领域具有很好的应用前景。（Ⅰ）。
• 4-Sulfanilamidothiazole
  申请人：SmithKline Corporation

  公开号：US04011210A1

  公开（公告）日：1977-03-08

  4-Sulfanilamidothiazole having antibacterial activity is prepared from the previously unknown 4-aminothiazole.

  具有抗菌活性的4-磺酰胺基噻唑是由先前未知的4-氨基噻唑制备而成的。