间氟苯乙醚 | 458-03-7

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 间氟苯乙醚
• 中文别名: 3-氟苯乙醚
• 英文名称: 1-ethoxy-3-fluorobenzene
• CAS: 458-03-7
• 化学式: C₈H₉FO
• mdl: MFCD00673011
• 分子量: 140.157
• InChiKey: UWWCZZMOTBWUAB-UHFFFAOYSA-N

物化性质

• 熔点：
  -27.5°C
• 沸点：
  156°C
• 密度：
  1.044
• 闪点：
  51°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2909309090
• 安全说明：
  S26,S27,S36,S36/37/39,S45
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H227,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Fluorophenetole
Synonyms: 3-Ethoxy-1-fluorobenzene

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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: 3-Fluorophenetole
CAS number: 458-03-7

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H9FO
Molecular weight: 140.2

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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, hydrogen fluoride.

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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：

  间氟苯乙醚 在 氢碘酸 作用下， 生成 3-氟苯酚
  参考文献：
  名称：

  Schiemann, Zeitschrift fur Physikalische Chemie (Leipzig), 1931, vol. 156, p. 397,398

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 间氟苯乙醚
  参考文献：
  名称：

  Schiemann, Zeitschrift fur Physikalische Chemie (Leipzig), 1931, vol. 156, p. 397,398

  摘要：

  DOI：

文献信息

• Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders
  申请人：Akerman Michelle

  公开号：US20060004012A1

  公开（公告）日：2006-01-05

  The present invention provides compounds useful, for example, for modulating insulin levels in a subject and that have the general formula Q-L 1 -P-L 2 -M-X-L 3 -A wherein the definitions of the variables Q, L 1 , P, L 2 , M, X, L 3 and A are provided herein. The present invention also provides compositions and methods for use of the compounds, for instance, for treatment of type II diabetes.

  本发明提供了一种有用的化合物，例如，用于调节受试者体内胰岛素水平的化合物，其具有以下一般公式 Q-L1-P-L2-M-X-L3-A 其中变量Q、L1、P、L2、M、X、L3和A的定义在此处提供。本发明还提供了用于这些化合物的组合物和方法，例如，用于治疗2型糖尿病。
• [(3-Aryl-1,2-benzisoxazol-6-yl)oxy]acetic acids. A new diuretic series
  作者：Gregory M. Shutske、Linda L. Setescak、Richard C. Allen、Larry Davis、Richard C. Effland、Karen Ranbom、Jan M. Kitzen、Jeffrey C. Wilker、William J. Novick

  DOI：10.1021/jm00343a008

  日期：1982.1

  A series of [(3-aryl-1,2-benzisoxazol-6-yl)oxy]acetic acids was synthesized and tested for diuretic activity in saline-loaded mice and in conscious, water-loaded dogs. The structural requirements for good diuretic activity in both mice and dogs were found to be very specific. In summary, the compounds with the best diuretic activity (13i, 13q, and 13ff) were substituted with a 2-fluorophenyl group

  合成了一系列的[（3-芳基-1,2-苯并恶唑-6-基）氧基]乙酸，并测试了在有盐负荷的小鼠和有意识的有水负荷的狗中的利尿活性。发现在小鼠和狗中良好的利尿活性的结构要求非常具体。总之，具有最佳利尿活性的化合物（13i，13q和13ff）在3位被2-氟苯基取代，在7位被氯或溴取代。发现化合物13ff [[7-溴-3-（2-氟苯基）-1，2-苯并恶唑-6-基]氧基]乙酸（HP 522）在黑猩猩中具有中等尿酸尿酸，因此被选择用于进一步开发。
• Novel high affinity quinoline-based kinase ligands
  申请人：Deng Yongqi

  公开号：US20080045568A1

  公开（公告）日：2008-02-21

  Quinoline-based inhibitors of cyclin dependent kinase 2, compositions including the inhibitors, and methods of using the inhibitors and inhibitor compositions are described. The inhibitors and compositions including them are useful for treating disease or disease symptoms. The invention also provides for methods of making CDK-2 inhibitor compounds, methods of inhibiting CDK-2, and methods for treating disease or disease symptoms.

  基于喹啉的细胞周期蛋白依赖激酶2抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包括它们的组合物对治疗疾病或疾病症状有用。该发明还提供了制备CDK-2抑制剂化合物的方法，抑制CDK-2的方法，以及治疗疾病或疾病症状的方法。
• NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS
  申请人：Conn P. Jeffrey

  公开号：US20120172391A1

  公开（公告）日：2012-07-05

  In one aspect, the invention relates to naphthyridinone analogs, derivatives thereof, and related compounds, which are useful as positive allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，该发明涉及萘啉酮类似物，其衍生物和相关化合物，这些化合物可用作代谢型谷氨酸受体亚型5（mGluR5）的正向变构调节剂；制备这些化合物的合成方法；包括这些化合物的药物组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神疾病的方法。本摘要旨在作为在特定领域进行搜索的扫描工具，并不打算限制本发明。
• MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE
  申请人：Durand-Reville Thomas

  公开号：US20110021513A1

  公开（公告）日：2011-01-27

  The present invention relates to modulators of IRAK kinase and provides compositions comprising such modulators, as well as methods therewith for treating conditions or diseases mediated by or associated with IRAK kinase.

  本发明涉及IRAK激酶的调节剂，并提供包含这些调节剂的组合物，以及利用这些调节剂治疗由IRAK激酶介导或相关的疾病或病症的方法。

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