4-(二氟甲氧基)溴代苯乙酮 | 141134-24-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(二氟甲氧基)溴代苯乙酮
• 中文别名: 4-二氟甲氧基溴苯乙酮
• 英文名称: 2-bromo-1-(4-difluoromethoxy-phenyl)-ethanone
• 英文别名: 1-(4-difluoromethoxyphenyl)-2-bromoethan-1-one；2-Bromo-1-(4-(difluoromethoxy)phenyl)ethanone；2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone
• CAS: 141134-24-9
• 化学式: C₉H₇BrF₂O₂
• mdl: MFCD00052200
• 分子量: 265.054
• InChiKey: JMUKUVDYZQDUSP-UHFFFAOYSA-N

物化性质

• 熔点：
  66-68°C
• 沸点：
  301.9±37.0 °C(Predicted)
• 密度：
  1.564±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi,T,C
• 危险类别码：
  R34
• 危险品运输编号：
  1759
• WGK Germany：
  3
• 海关编码：
  2914700090
• 危险类别：
  IRRITANT
• 安全说明：
  S26,S36/37/39

SDS

Name:	2-Bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one 97% Material Safety Data Sheet
Synonym:	4-(Difluoromethoxy)phenacylbromid
CAS:	141134-24-9

Section 1 - Chemical Product MSDS Name:2-Bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one 97% Material Safety Data Sheet
Synonym:4-(Difluoromethoxy)phenacylbromid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
141134-24-9	2-Bromo-1-[4-(difluoromethoxy)phenyl]e	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

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:
Not available.

---

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.

---

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.

---

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# 141134-24-9: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 66 - 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: C9H7BrF2
Molecular Weight: 265

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 141134-24-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

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

---

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

---

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# 141134-24-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 141134-24-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 141134-24-9 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(二氟甲氧基)溴代苯乙酮 在 potassium tert-butylate 、 水 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 1-{2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}-1H-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS
  [FR] COMPOSÉS POUR LE TRAITEMENT DES INFECTIONS PAR LE VIRUS RESPIRATOIRE SYNCYTIAL

  摘要：

  本发明涉及式(I)的化合物，其盐、异构体或前药，在治疗病毒感染，特别是呼吸道合胞病毒（RSV）感染方面有用。本发明还涉及制备这些化合物和用于制备它们的中间体的方法。

  公开号：

  WO2011094823A1
• 作为产物：
  描述：

  1-[4-(二氟甲氧基)苯基]乙酮 在 溴 作用下， 以 1,4-二氧六环 、 乙醚 、 二氯甲烷 为溶剂， 生成 4-(二氟甲氧基)溴代苯乙酮
  参考文献：
  名称：

  N-aryl-3-aryl-4-substituted-2,3,4,5-tetrahydro-1H-pyrazole-1-carboxamides

  摘要：

  本发明涉及一种新型的N-芳基-3-芳基-4-取代基-2,3,4,5-四氢-1H-吡唑-1-羧酰胺类化合物，其可用作杀虫剂，包含该化合物的组合物，控制害虫的方法以及制备这些化合物的方法。

  公开号：

  US05109014A1

文献信息

• [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES
  申请人：VPS 3 INC

  公开号：WO2018165520A1

  公开（公告）日：2018-09-13

  Provided are compounds having HDAC6 modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by HDAC6.

  提供具有HDAC6调节活性的化合物，以及通过HDAC6介导的治疗疾病、疾病或症状的方法。
• [EN] 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER<br/>[FR] 2-HÉTÉROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES POUR LE TRAITEMENT DU CANCER
  申请人：BAYER AG

  公开号：WO2018146010A1

  公开（公告）日：2018-08-16

  The present invention covers 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamide compounds of general formula (I), in which X, R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of cancer or conditions with dysregulated immune responses or other disorders associated with aberrant AHR signaling, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的2-杂环芳基-3-酮基-2,3-二氢吡啶嗪-4-羧酰胺化合物，其中X、R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是癌症或与异常AHR信号传导相关的疾病，或与失调免疫反应或其他与异常AHR信号传导相关的疾病，作为单一药剂或与其他活性成分组合使用。
• [EN] OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS OXADIAZINE ET LEURS MÉTHODES D'UTILISATION
  申请人：FORUM PHARMCEUTICALS INC

  公开号：WO2016201168A1

  公开（公告）日：2016-12-15

  The present disclosure relates to oxadiazine compounds, pharmaceutical compositions comprising an effective amount of an oxadiazine compound and methods for using an oxadiazine compound in the treatment of a neurodegenerative disease, comprising administering to a subject in need thereof an effective amount of an oxadiazine compound.

  本公开涉及恶二嗪化合物，包含有效量的恶二嗪化合物的药物组合物，以及使用恶二嗪化合物治疗神经退行性疾病的方法，包括向需要其的受试者施用有效量的恶二嗪化合物。
• Catalyst Free and Energy Economical Synthesis of Thiazole Derivatives Bearing Azo Imine Linkage with Imidazole as Antimicrobial Agents
  作者：Nayan M. Panchani、Hitendra S. Joshi

  DOI：10.2174/1570180815666180627155443

  日期：2019.1.15

  Background: Several strategies have been reported for the synthesis of thiazole derivatives. Methods: However, many of these methods suffer from several drawbacks. Several modifications have been made to counter these problems. Here, we have synthesized a new series of 2-(2-((1HImidazol- 4-yl)methylene)hydrazinyl)-4-(4-substitutedphenyl)thiazoles without using the catalyst at room temperature. Results:

  背景：已报道了几种合成噻唑衍生物的策略。 方法：但是，这些方法中有许多都有一些缺点。为了解决这些问题，已经进行了一些修改。在这里，我们合成了一系列新的2-（2-（（（1HI咪唑-4-基）亚甲基）肼基）-4-（4-取代的苯基）噻唑，而在室温下不使用催化剂。 结果：合成的化合物的结构已通过质谱，质谱，IR，1H NMR和13C NMR等光谱分析证实。筛选所有合成的化合物对某些革兰氏阳性和革兰氏阴性细菌的体外抗菌活性。 结论：本文讨论的噻唑衍生物具有药理作用，可能为微生物疾病的治疗提供重要的有价值的治疗方法，尤其是针对细菌和真菌感染。
• Alkoxy aryl beta2 adrenergic receptor agonists
  申请人：——

  公开号：US20040006102A1

  公开（公告）日：2004-01-08

  The invention provides novel &bgr; 2 adrenergic receptor agonist compounds. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat diseases associated with &bgr; 2 adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  本发明提供了一种新型的β2肾上腺素能受体激动剂化合物。本发明还提供了包含该化合物的药物组合物，以及使用该化合物治疗与β2肾上腺素能受体活性相关疾病的方法，以及用于制备该化合物的过程和中间体。