3-溴-2-硝基噻吩 | 24430-27-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 噻吩类化合物
• 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: 3-溴-2-硝基噻吩
• 英文名称: 3-bromo-2-nitrothiophene
• 英文别名: 3-Brom-2-nitrothiophen；2-Nitro-3-bromthiophen
• CAS: 24430-27-1
• 化学式: C₄H₂BrNO₂S
• mdl: MFCD04971288
• 分子量: 208.035
• InChiKey: UYIHKIRPUMUUJX-UHFFFAOYSA-N

物化性质

• 熔点：
  79-81 °C(Solv: hexane (110-54-3))
• 沸点：
  228.6±20.0 °C(Predicted)
• 密度：
  1.945±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 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：
  74.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  | 2-8°C |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-2-nitrothiophene
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: 3-Bromo-2-nitrothiophene
CAS number: 24430-27-1

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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: C4H2BrNO2S
Molecular weight: 208.0

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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

反应信息

• 作为反应物：
  描述：

  3-溴-2-硝基噻吩 在 sodium sulfide 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以75%的产率得到2,2'-dinitro-3,3'-dithienylsulfide
  参考文献：
  名称：

  Ronsisvalle; Blandino, Farmaco, Edizione Scientifica, 1981, vol. 36, # 9, p. 785 - 793

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴噻吩 在 硝酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 反应 5.5h， 以39%的产率得到3-溴-2-硝基噻吩
  参考文献：
  名称：

  Thieno [3,2 - b ]吡咯-5-羧酰胺是组蛋白赖氨酸脱甲基酶KDM1A / LSD1的新型可逆抑制剂。第1部分：高通量筛选和初步探索

  摘要：

  赖氨酸特异性脱甲基酶1 KDM1A（LSD1）调节组蛋白甲基化，并日益被认为是肿瘤学中潜在的治疗靶标。我们报告了使用时间分辨荧光共振能量转移（TR-FRET）技术在KDM1A / CoREST上进行的高通量筛选活动，以鉴定可逆抑制剂。筛选导致115个结果，我们确定了它们的生化IC 50，从而确定了四个化学系列。经过数据分析，我们确定了N-苯基-4 H-噻吩并[3，2- b ]吡咯-5-羧酰胺的化学系列的优先级，为此，我们获得了最有力的X射线结构（化合物19，IC 50= 2.9μM）与酶复合。该化学类别的最初扩展，包括修饰核心结构和修饰苯甲酰胺部分，都指向负责与酶相互作用的部分的定义。初步优化产生了化合物90，该化合物具有亚微摩尔IC 50（0.162μM）抑制酶，能够抑制细胞中的靶标。

  DOI：

  10.1021/acs.jmedchem.6b01018

文献信息

• Vicarious nucleophilic substitution of hydrogen in nitroderivatives of five-membered heteroaromatic compounds
  作者：Mieczyslaw Makosza、Ewa Kwast

  DOI：10.1016/0040-4020(95)00445-e

  日期：1995.7

  Nitro derivatives of thiophene, furan and pyrrole react with carbanions containing leaving groups giving products of replacement of hydrogen with functionalized alkyl substituents. Many specific features of this reaction are discussed.

  噻吩，呋喃和吡咯的硝基衍生物与含有离去基团的碳负离子反应，生成被官能化的烷基取代基取代氢的产物。讨论了该反应的许多具体特征。
• [EN] ACLY INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'ACLY ET LEURS UTILISATIONS
  申请人：NIMBUS ARTEMIS INC

  公开号：WO2020097408A1

  公开（公告）日：2020-05-14

  The present invention provides compounds useful as inhibitors of ATP citrate lyase (ACLY), compositions thereof, and methods of using the same.

  本发明提供了作为ATP柠檬酸裂合酶（ACLY）抑制剂的化合物、其组合物以及使用方法。
• Palladium-catalyzed coupling of heteroaryl alkylstannanes with heteroaryl halides in the presence of silver(I)oxide
  作者：Johan Malm、Patrick Björk、Salo Gronowitz、Anna-Britta Hörnfeldt

  DOI：10.1016/0040-4039(92)88176-6

  日期：1992.4

  The Pd-catalyzed coupling of heteroaryl trialkylstannanes with a variety of heteroaryl halides has been shown to be greatly promoted by silver(I)oxide

  Pd催化杂芳基三烷基锡与各种杂芳基卤化物的Pd催化偶联可被氧化银（I）大大促进
• 신규한 보론 화합물 및 이를 포함하는 유기발광소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR20210010389A

  公开（公告）日：2021-01-27

  본 발명은 유기발광소자에 사용가능한 보론 화합물 및 이를 포함하는 유기발광소자에 관한 것으로, 보다 자세하게는 [화학식 A] 내지 [화학식 D] 중에서 어느 하나로 표시되는 보론 화합물 및 이를 포함하는 유기발광소자에 관한 것으로서, 상기 [화학식 A] 내지 [화학식 D]는 발명의 상세한 설명에 기재된 바와 동일하다.

  本发明涉及可用于有机发光器件的硼化合物以及包含该硼化合物的有机发光器件，更详细地说，涉及以化学式A至化学式D中的任一种表示的硼化合物及包含该硼化合物的有机发光器件，其中化学式A至化学式D与本发明详细说明中所述的相同。
• 유기전기 소자용 화합물, 이를 이용한 유기전기소자 및 그 전자 장치
  申请人：DUK SAN NEOLUX CO., LTD. 덕산네오룩스 주식회사(120150011099) Corp. No ▼ 161511-0176036BRN ▼312-86-74729

  公开号：KR102109349B1

  公开（公告）日：2020-05-12

  본 발명은 소자의 발광효율, 안정성 및 수명을 향상시킬 수 있는 신규 화합물 및 이를 이용한 유기전기소자, 그 전자 장치를 제공한다.

  本发明提供了一种新的化合物，可以提高器件的发光效率、稳定性和寿命，并提供了利用该化合物的有机电子器件和电子设备。