3-溴噻吩-2-甲酰氯 | 25796-68-3

• 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-溴噻吩-2-甲酰氯
• 中文别名: 3-溴噻吩-2-羰酰氯
• 英文名称: 3-bromo-thiophene-2-carbonyl chloride
• 英文别名: 3-Bromothiophene-2-carbonyl chloride
• CAS: 25796-68-3
• 化学式: C₅H₂BrClOS
• 分子量: 225.493
• InChiKey: QMKGMTULPADQDK-UHFFFAOYSA-N

物化性质

• 熔点：
  65-68°C
• 沸点：
  135-136°C 13mm
• 密度：
  1.855±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2934999090
• 危险品运输编号：
  UN 3261

SDS

Name:	3-Bromothiophene-2-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:
CAS:	25796-68-3

Section 1 - Chemical Product MSDS Name:3-Bromothiophene-2-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
25796-68-3	3-Bromothiophene-2-carbonyl chloride	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 25796-68-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow - cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 135 - 136 deg C @13mmHg
Freezing/Melting Point: 65 - 68 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H2BrClOS
Molecular Weight: 255

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 25796-68-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Bromothiophene-2-carbonyl chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 25796-68-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25796-68-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25796-68-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-溴噻吩-2-甲酰氯 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 36.25h， 生成 tert-butyl 3-bromothiophene-2-carbonyl[4-(tert-butyldimethylsilyloxy)phenyl]carbamate
  参考文献：
  名称：

  [EN] TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME
  [FR] COMPOSÉS TRICYCLIQUES ET INHIBITEURS DE PBK LES CONTENANT

  摘要：

  提供的是三环化合物。这些化合物是PBK抑制剂，可用于治疗与PBK相关的疾病，包括癌症。

  公开号：

  WO2011123419A1
• 作为产物：
  描述：

  3-溴噻吩-2-甲醛 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 丙酮 、 甲苯 为溶剂， 生成 3-溴噻吩-2-甲酰氯
  参考文献：
  名称：

  新型手性噻吩-、苯并噻吩-和苯并呋喃-恶唑啉配体的合成及其在对映选择性 Pd 催化烯丙基化中的应用

  摘要：

  在杂环骨架的不同位置含有二苯基膦基的新型噻吩、苯并噻吩和苯并呋喃-恶唑啉配体 6-11 已被制备并用于对映选择性烯丙基化。这些新配体的优点是易于获取和高反应性。用配体9获得了最好的结果，在0°C下2小时内以97.0% ee得到产物13，产率为92%。

  DOI：

  10.1055/s-2002-35577

文献信息

• Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：——

  公开号：US20030045546A1

  公开（公告）日：2003-03-06

  The present invention is directed to substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs thereof, represented by the Formula I: 1 wherein Ar 1 , Ar 3 , A, B and D are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及取代的3-芳基-5-芳基-[1,2,4]-噁二唑及其类似物，由以下式I表示： 1 其中Ar1，Ar3，A，B和D在此处定义。本发明还涉及发现具有式I的化合物是caspase的激活剂和凋亡诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导在各种临床病况中发生未受控制的异常细胞生长和扩散的细胞死亡。
• [EN] THIENOPYRAZOLES<br/>[FR] THIENOPYRAZOLES
  申请人：AVENTIS PHARMA INC

  公开号：WO2005026175A1

  公开（公告）日：2005-03-24

  Thienopyrazoles, their preparation, pharmaceutical compositions comprising these compounds, and their pharmaceutical uses in the treatment of disease states capable of being modulated by the inhibition of the protein kinases, in particular interleukin-2 inducible tyrosine kinase (ITK).

  噻唑并吡唑类化合物，其制备方法，包含这些化合物的药物组合物，以及它们在治疗可通过抑制蛋白激酶，特别是白细胞介素-2诱导酪氨酸激酶（ITK）而调节的疾病状态中的药用。
• Benzoxazole carboxamides for treating CINV and IBS-D
  申请人：Fairfax J. David

  公开号：US20060183769A1

  公开（公告）日：2006-08-17

  Compounds of formulae I and II: are disclosed as 5-HT 3 inhibitors. Those compounds that exhibit central activity are useful in treating CINV; those that inhibit peripheral receptors are useful to treat IBS-D.

  公式I和II的化合物： 被披露为5-HT3受体拮抗剂。那些表现出中枢活性的化合物对治疗CINV有用；那些抑制外周受体的化合物对治疗IBS-D有用。
• 5-HT.sub.1F agonists
  申请人：Eli Lilly and Company

  公开号：US05817671A1

  公开（公告）日：1998-10-06

  This invention provides 5-HT.sub.1F agonists of Formula I: ##STR1## where A--B, X, and R are as defined in the specification. The invention also encompasses pharmaceutical formulations employing compounds of Formula I as well as methods of treating conditions associated with 5-HT.sub.1F activation employing these compounds or compositions. The invention also provides intermediates useful for the preparation of the compounds of Formula I.

  这项发明提供了式I的5-HT.sub.1F激动剂：##STR1##其中A-B、X和R如规范中所定义。该发明还涵盖了使用式I化合物的药物配方，以及利用这些化合物或组合物治疗与5-HT.sub.1F激活相关的疾病的方法。该发明还提供了用于制备式I化合物的中间体。
• ORGANIC SEMICONDUCTING COMPOUNDS AND RELATED OPTOELECTRONIC DEVICES
  申请人：Polyera Corporation

  公开号：US20170104160A1

  公开（公告）日：2017-04-13

  The present teachings relate to new organic semiconducting compounds and their use as active materials in organic and hybrid optical, optoelectronic, and/or electronic devices such as photovoltaic cells, light emitting diodes, light emitting transistors, and field effect transistors. The present compounds can provide improved device performance, for example, as measured by power conversion efficiency, fill factor, open circuit voltage, field-effect mobility, on/off current ratios, and/or air stability when used in photovoltaic cells or transistors. The present compounds can have good solubility in common solvents enabling device fabrication via solution processes.

  本教学涉及新的有机半导体化合物及其在有机和混合光学、光电子和/或电子器件中作为活性材料的用途，如光伏电池、发光二极管、发光晶体管和场效应晶体管。这些化合物可以提供改进的器件性能，例如通过光电转换效率、填充因子、开路电压、场效应迁移率、开/关电流比以及在光伏电池或晶体管中使用时的空气稳定性等指标来衡量。这些化合物在常见溶剂中具有良好的溶解性，可以通过溶液工艺进行器件制备。