4-(2-nitrophenyl)-2-methylthiazole | 305811-37-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-nitrophenyl)-2-methylthiazole
• 英文别名: 2-methyl-4-(2-nitrophenyl)thiazole；2-methyl-4-(2-nitrophenyl)-1,3-thiazole
• CAS: 305811-37-4
• 化学式: C₁₀H₈N₂O₂S
• 分子量: 220.252
• InChiKey: CDIYPVIYTJKKOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  87
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methyl-4-(2-nitrophenyl)thiazole
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: 2-Methyl-4-(2-nitrophenyl)thiazole
CAS number: 305811-37-4

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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.
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: C10H8N2O2S
Molecular weight: 220.2

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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, 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：

  4-(2-nitrophenyl)-2-methylthiazole 在 platinum(IV) oxide 氢气 作用下， 以 乙醇 为溶剂， 生成 2-(2-甲基-1,3-噻唑-4-基)苯胺
  参考文献：
  名称：

  2-(Anilinomethyl)imidazolines as α1A Adrenergic Receptor Agonists: 2′-Heteroaryl and 2′-Oxime Ether Series

  摘要：

  A series of 2'-heteroaryl and 2'-oxime anilinomethylimidazolines was prepared and evaluated in in vitro functional assays for cloned human alpha(1A), alpha(1B), and alpha(1D) receptor subtypes, Potent and selective alpha(1A) agonists have been identified in these series. (C) 2002 Elsevier Science Lid. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00822-8
• 作为产物：
  描述：

  [2-(2-Nitrophenyl)-2-oxoethyl] ethanimidothioate 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 4-(2-nitrophenyl)-2-methylthiazole
  参考文献：
  名称：

  Imidazoline derivatives as alpha-1A adrenoceptor ligands

  摘要：

  化合物的化学式（I）或其药用可接受的盐或溶剂的复合物已被披露。这些化合物在治疗Alpha-1A介导的疾病或症状，如尿失禁方面是有用的。

  公开号：

  US06884801B1

文献信息

• [EN] IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS<br/>[FR] DERIVES D'IMIDAZOLINE UTILISES COMME LIGANDS DU RECEPTEUR ADRENERGIQUE ALPHA-1A
  申请人：GLAXO GROUP LTD

  公开号：WO2000066563A1

  公开（公告）日：2000-11-09

  Compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof are disclosed. Formula (i) wherein R?2, R3, R4 and R5¿ are independently H, halogen, -OH, -C¿1-3?alkyl, -C1-3alkoxy, -SC1-2alkyl, or -CF3, with the proviso that at least 2 of R?2, R3, R4 and R5¿ are H; R6 is H or -CH¿3; R?1 is -S(O)¿nR?7 where n is 1 or 2, -S(O)¿2NHR?8, -C(O)R?9, -NR14R15, -C(R17)=NOR16¿, (a) or a 5,6, or 7 membered heteroalkyl or heteroaryl group optionally substituted. Such compounds are useful in the treatment of Alpha-1A mediated diseases or conditions such as urinary incontinence.

  公开了式(I)的化合物或其药学上可接受的盐或溶剂化物。式(I)中，R?2、R3、R4和R5¿独立地为H、卤素、-OH、-C¿1-3?烷基、-C1-3烷氧基、-SC1-2烷基或-CF3，但至少有2个R?2、R3、R4和R5¿为H；R6为H或-CH¿3；R?1为-S(O)¿nR?7，其中n为1或2，-S(O)¿2NHR?8，-C(O)R?9，-NR14R15，-C(R17)=NOR16¿，(a)或可选择取代的5、6或7成员杂烷基或杂芳基基团。这些化合物在治疗α-1A介导的疾病或病况，例如尿失禁方面有用。
• IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1175406A1

  公开（公告）日：2002-01-30
• US6884801B1
  申请人：——

  公开号：US6884801B1

  公开（公告）日：2005-04-26
• US8026370B2
  申请人：——

  公开号：US8026370B2

  公开（公告）日：2011-09-27
• Imidazoline derivatives as alpha-1A adrenoceptor ligands
  申请人：Bigham Eric Cleveland

  公开号：US06884801B1

  公开（公告）日：2005-04-26

  Compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof are disclosed. Such compounds are useful in the treatment of Alpha-1A mediated diseases or conditions such as urinary incontinence.

  化合物的化学式（I）或其药用可接受的盐或溶剂的复合物已被披露。这些化合物在治疗Alpha-1A介导的疾病或症状，如尿失禁方面是有用的。