2-溴-1-(3-(2,4-二氯苯基)异恶唑)-5-)乙基-酮 | 175334-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-溴-1-(3-(2,4-二氯苯基)异恶唑)-5-)乙基-酮
• 中文别名: 2-溴-1-[3-(2,4-二氯苯基)异噁唑-5-基]乙醛-1-酮
• 英文名称: 2-bromo-1-[3-(2,4-dichloro-phenyl)-isoxazol-5-yl]-ethanone
• 英文别名: 2-Bromo-1-(3-(2,4-dichlorophenyl)isoxazol-5-yl)ethanone；2-bromo-1-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
• CAS: 175334-69-7
• 化学式: C₁₁H₆BrCl₂NO₂
• 分子量: 334.984
• InChiKey: WYJZTLHKOJBVSA-UHFFFAOYSA-N

物化性质

• 熔点：
  85 °C
• 沸点：
  447.0±45.0 °C(Predicted)
• 密度：
  1.680±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

SDS

Name:	2-Bromo-1-[3-(2 4-dichlorophenyl)isoxazol-5-yl]ethan-1-onel 97% Material Safety Data Sheet
Synonym:	5-(Bromoacetyl)-3-(2,4-dichlorophenyl)isoxazole
CAS:	175334-69-7

Section 1 - Chemical Product MSDS Name:2-Bromo-1-[3-(2 4-dichlorophenyl)isoxazol-5-yl]ethan-1-onel 97% Material Safety Data Sheet
Synonym:5-(Bromoacetyl)-3-(2,4-dichlorophenyl)isoxazole

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175334-69-7	2-Bromo-1-[3-(2,4-dichlorophenyl)isoxa	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
No information found.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 175334-69-7: 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: 88 - 90 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: C11H6BrCl2NO2
Molecular Weight: 335

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175334-69-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-[3-(2,4-dichlorophenyl)isoxazol-5-yl]ethan-1-one - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 175334-69-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175334-69-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175334-69-7 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：

  5-(3-甲氧基苯基)-1,2,4-噻二唑-2-胺 、 2-溴-1-(3-(2,4-二氯苯基)异恶唑)-5-)乙基-酮 生成 1-{6-[3-(2,4-Dichlorophenyl)isoxazol-5-yl]imidazolo[2,1-b]1,3,4-thiadiazolin-2-yl}-3-methoxybenzene
  参考文献：
  名称：

  Organosulfur inhibitors of tyrosine phosphatases

  摘要：

  本发明揭示了酚磷酸酶的有机硫调节剂及其在治疗疾病中的应用。

  公开号：

  US20050065118A1

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Sin Ny

  公开号：US20090274652A1

  公开（公告）日：2009-11-05

  Hepatitis C virus inhibitors having the general formula are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  揭示了具有一般公式的丙型肝炎病毒抑制剂。还揭示了包含这些化合物的组合物和使用这些化合物来抑制HCV的方法。
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009129109A1

  公开（公告）日：2009-10-22

  Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  公开了具有一般式(I)的丙型肝炎病毒抑制剂。还公开了包含该化合物的组合物以及使用该化合物抑制HCV的方法。
• Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20040053952A1

  公开（公告）日：2004-03-18

  This invention provides compounds defined by Formula I 1 or a pharmaceutically acceptable salt thereof, wherein R 1 , Q, R 2 , R 3 , and R 4 are as defined in the specification. The invention also provides pharmaceutical compositions comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, as defined in the specification, together with a pharmaceutically acceptable carrier, diluent, or excipient. The invention also provides methods of inhibiting an MMP-13 enzyme in an animal, comprising administering to the animal a compound of Formula I, or a pharmaceutically acceptable salt thereof. The invention also provides methods of treating a disease mediated by an MMP-13 enzyme in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides methods of treating diseases such as heart disease, multiple sclerosis, osteo- and rheumatoid arthritis, arthritis other than osteo- or rheumatoid arthritis, cardiac insufficiency, inflammatory bowel disease, heart failure, age-related macular degeneration, chronic obstructive pulmonary disease, asthma, periodontal diseases, psoriasis, atherosclerosis, and osteoporosis in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides combinations, comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, together with another pharmaceutically active component as described in the specification.

  本发明提供了由公式I1定义的化合物或其药学上可接受的盐，其中R1、Q、R2、R3和R4如规范中所定义。本发明还提供了制剂，包括由规范中定义的公式I的化合物或其药学上可接受的盐，以及药学上可接受的载体、稀释剂或赋形剂。本发明还提供了在动物中抑制MMP-13酶的方法，包括向动物施用公式I的化合物或其药学上可接受的盐。本发明还提供了治疗由MMP-13酶介导的疾病的方法，包括向患者施用公式I的化合物或其药学上可接受的盐，单独或与制剂一起。本发明还提供了治疗心脏病、多发性硬化症、骨关节炎和类风湿性关节炎、非骨关节炎和非类风湿性关节炎性关节炎、心力衰竭、炎症性肠病、老年性黄斑变性、慢性阻塞性肺病、哮喘、牙周疾病、银屑病、动脉粥样硬化和骨质疏松症的方法，包括向患者施用公式I的化合物或其药学上可接受的盐，单独或与制剂一起。本发明还提供了组合物，包括公式I的化合物或其药学上可接受的盐，以及规范中描述的另一种药学活性成分。
• [EN] PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] DERIVES DE PYRIMIDINE 2,4-DIONES, UTILISES COMME INHIBITEURS DE METALLOPROTEINASE MATRICIELLE
  申请人：WARNER LAMBERT CO

  公开号：WO2004014868A3

  公开（公告）日：2004-06-03
• ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES
  申请人：Structural Bioinformatics Inc.

  公开号：EP1446110A2

  公开（公告）日：2004-08-18