1-(1-苯并呋喃-5-基)-2-溴-1-乙酮 | 844891-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 1-(1-苯并呋喃-5-基)-2-溴-1-乙酮
• 英文名称: 5-(2-bromoacetyl)benzofuran
• 英文别名: 1-(1-Benzofuran-5-yl)-2-bromo-1-ethanone；1-(1-benzofuran-5-yl)-2-bromoethanone
• CAS: 844891-02-7
• 化学式: C₁₀H₇BrO₂
• 分子量: 239.068
• InChiKey: KRXJQVYCIGDILC-UHFFFAOYSA-N

物化性质

• 沸点：
  306.8±17.0 °C(Predicted)
• 密度：
  1.582±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2932999099

SDS

Name:	1-(1-Benzofuran-5-yl)-2-bromo-1-ethanone Material Safety Data Sheet
Synonym:	None
CAS:	844891-02-7

Section 1 - Chemical Product MSDS Name:1-(1-Benzofuran-5-yl)-2-bromo-1-ethanone Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
844891-02-7	1-(1-Benzofuran-5-yl)-2-bromo-1-ethano	>97	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
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:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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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# 844891-02-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Off white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 76 - 77 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H7BrO2
Molecular Weight: 239.07

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents, amines.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 844891-02-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(1-Benzofuran-5-yl)-2-bromo-1-ethanone - 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 22 Do not breathe dust.
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# 844891-02-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 844891-02-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 844891-02-7 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：

  2-氨基-5-溴吡嗪 、 1-(1-苯并呋喃-5-基)-2-溴-1-乙酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 40.0h， 生成 2-(1-benzofuran-5-yl)-6-bromoimidazo[1,2-a]pyrazine
  参考文献：
  名称：

  [EN] IMIDAZOPYRIDINE COMPOUNDS
  [FR] COMPOSÉS IMIDAZOPYRIDINES

  摘要：

  这项发明涉及式(I)的化合物及其药学上可接受的盐和溶剂化合物，这些化合物是SSAO活性的抑制剂。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物治疗或预防抑制SSAO活性有益的医疗状况，如炎症性疾病和免疫紊乱。

  公开号：

  WO2010064020A1

文献信息

• COMPOSITION FOR MAINTAINING PLATELET FUNCTION
  申请人：KYOTO UNIVERSITY

  公开号：US20160168540A1

  公开（公告）日：2016-06-16

  Provided is a composition for maintaining a function of platelets, having as an active ingredient a pyridone derivative represented by the following general formula (I), or a salt thereof (in the formula, ring A, R 1 , R 2 , R 3 , and R 4 represent the definitions given in the description).

  提供一种用于维持血小板功能的组合物，其活性成分为以下一般式（I）所代表的吡啶酮衍生物，或其盐（在公式中，环A，R1，R2，R3和R4代表描述中给出的定义）。
• FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION
  申请人：Leonard Kristi Anne

  公开号：US20120129872A1

  公开（公告）日：2012-05-24

  This invention relates to thiazole I and its therapeutic and prophylactic uses, wherein the variables A, Q, J, R 1 , R 3 , and R 5 are defined in the specification. Disorders treated and/or prevented include rheumatoid arthritis.

  该发明涉及噻唑I及其治疗和预防用途，其中变量A、Q、J、R1、R3和R5在规范中有定义。治疗和/或预防的疾病包括类风湿性关节炎。
• Imidazopyridine Compounds
  申请人：Nilsson Marianne

  公开号：US20120010188A1

  公开（公告）日：2012-01-12

  The invention relates to compounds of formula (I): and their pharmaceutically acceptable salts and solvates, which are inhibitors of SSAO activity. The invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the treatment or prevention of medical conditions wherein inhibition of SSAO activity is beneficial, such as inflammatory diseases and immune disorders.

  本发明涉及公式（I）的化合物及其药学上可接受的盐和溶剂化物，它们是SSAO活性抑制剂。本发明还涉及包含这些化合物的药物组合物和使用这些化合物治疗或预防抑制SSAO活性有益的医疗条件，例如炎症性疾病和免疫紊乱。
• IMIDAZOPYRIDINE COMPOUNDS
  申请人：Proximagen Limited

  公开号：US20150239905A1

  公开（公告）日：2015-08-27

  The invention relates to compounds of formula (I): and their pharmaceutically acceptable salts and solvates, which are inhibitors of SSAO activity. The invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the treatment or prevention of medical conditions wherein inhibition of SSAO activity is beneficial, such as inflammatory diseases and immune disorders.

  本发明涉及式(I)的化合物及其药学上可接受的盐和溶剂，它们是SSAO活性的抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物治疗或预防抑制SSAO活性有益的医疗状况，例如炎症性疾病和免疫障碍。
• New reactions of 3,4‐dihydro‐6,7‐dimethoxyisoquinoline ylide with nitrile derivatives
  作者：Márk Molnár、Krisztina E. Treuerne Balázs、Zoltán Madarász、Miklós Nyerges

  DOI：10.1002/jhet.4496

  日期：2022.9

  Novel examples for dipolar cycloaddition of isoquinolinium ylides to nitriles leading to new imidazo[2,1-a]isoquinolines were described and the potential of this reaction in synthetic chemistry was explored. As a by-product of this research, a number of N-substituted, 3,4-dihydro-1H-isoquinoline-1-carbonitriles were synthesized by a simple, efficient reaction of a series of isoquinolinium bromides

  描述了异喹啉叶立德与腈的偶极环加成产生新的咪唑并[2,1- a ]异喹啉的新例子，并探索了该反应在合成化学中的潜力。作为本研究的副产品，通过一系列异喹啉溴化物和氰基甲酸乙酯在存在下进行简单、高效的反应，合成了许多N-取代的 3,4-二氢-1 H-异喹啉-1-甲腈。三乙胺。