2-氯-1-氟-4-(甲基磺酰基)苯 | 847148-17-8

• 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-氯-1-氟-4-(甲基磺酰基)苯
• 英文名称: 2-chloro-1-fluoro-4-methylsulfonylbenzene
• CAS: 847148-17-8
• 化学式: C₇H₆ClFO₂S
• mdl: MFCD09972173
• 分子量: 208.641
• InChiKey: QJUXXQFUEROZHT-UHFFFAOYSA-N

物化性质

• 沸点：
  340.1±42.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2904909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-1-fluoro-4-methylsulfonylbenzene
Synonyms: 3-Chloro-4-fluoro-1-(methylsulfonyl)benzene

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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-Chloro-1-fluoro-4-methylsulfonylbenzene
CAS number: 847148-17-8

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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: C7H6ClFO2S
Molecular weight: 208.6

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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 chloride, hydrogen fluoride, 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：

  2-氯-1-氟-4-(甲基磺酰基)苯 在 sodium hydrogensulfide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 5.5h， 生成 bis(2-chloro-4-methanesulfonyl-benzene)disulfide
  参考文献：
  名称：

  Indolizine Derivatives

  摘要：

  化合物的结构（I）是CRTH2受体的配体，可用于治疗呼吸系统疾病：结构（I）中R1，R2，R3和R4分别为氢，C1C6烷基，完全或部分氟化的C1C6烷基，卤素，—S(O)nR10，—SO2N(R10)2，—N(R10)2，—C(O)N(R10)2，—NR10C(O)R9，—CO2R10，—C(O)R9，—NO2，—CN或—OR11；其中每个R9独立地为C1C6烷基，芳基，杂环芳基；R10独立地为氢，C1C6烷基，芳基或杂环芳基；R11为氢，C1C6烷基，完全或部分氟化的C1C6烷基或一个基团—SO2R9；n为0，1或2；R5为C1C6烷基，完全或部分氟化的C1C6烷基，C1C6烯基，C1C6炔基，可选地取代的芳基或可选地取代的杂环芳基；R6为氢，C1C6烷基或完全或部分氟化的C1C6烷基；R7和R5独立地为氢或C1C6烷基，或R7和R5与它们连接的原子一起形成环烷基；X为—CHR6—，—S(O)n—，—NR6SO2—或—SO2NR6—其中n为0，1或2。

  公开号：

  US20090163534A1
• 作为产物：
  描述：

  2-氟-5-甲磺酰基苯胺 在 盐酸 、 sodium nitrite 、 copper(l) chloride 作用下， 以 水 为溶剂， 反应 0.17h， 生成 2-氯-1-氟-4-(甲基磺酰基)苯
  参考文献：
  名称：

  Indolizine Derivatives

  摘要：

  化合物的结构（I）是CRTH2受体的配体，可用于治疗呼吸系统疾病：结构（I）中R1，R2，R3和R4分别为氢，C1C6烷基，完全或部分氟化的C1C6烷基，卤素，—S(O)nR10，—SO2N(R10)2，—N(R10)2，—C(O)N(R10)2，—NR10C(O)R9，—CO2R10，—C(O)R9，—NO2，—CN或—OR11；其中每个R9独立地为C1C6烷基，芳基，杂环芳基；R10独立地为氢，C1C6烷基，芳基或杂环芳基；R11为氢，C1C6烷基，完全或部分氟化的C1C6烷基或一个基团—SO2R9；n为0，1或2；R5为C1C6烷基，完全或部分氟化的C1C6烷基，C1C6烯基，C1C6炔基，可选地取代的芳基或可选地取代的杂环芳基；R6为氢，C1C6烷基或完全或部分氟化的C1C6烷基；R7和R5独立地为氢或C1C6烷基，或R7和R5与它们连接的原子一起形成环烷基；X为—CHR6—，—S(O)n—，—NR6SO2—或—SO2NR6—其中n为0，1或2。

  公开号：

  US20090163534A1

文献信息

• FLAP MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20140221310A1

  公开（公告）日：2014-08-07

  The present invention relates to compounds of Formula (I), or a form thereof, wherein ring A, R 1 , L and R 2 are as defined herein, useful as FLAP modulators. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention.

  本发明涉及式（I）化合物，或其形式，其中环A，R1，L和R2如本文所定义，作为FLAP调节剂有用。该发明还涉及包含式（I）化合物的药物组合物。制备和使用式（I）化合物的方法也属于本发明的范围。
• [EN] SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF<br/>[FR] BENZAMIDES SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2015078374A1

  公开（公告）日：2015-06-04

  The invention provides compounds having the general formula I, and pharmaceutically acceptable salts thereof, wherein the variables RA, RAA, subscript n, ring A, X2, L, subscript m, X1, R1, R2, R3, R4, R5, and RN have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  这项发明提供了具有一般式I的化合物及其药用盐，其中变量RA、RAA、下标n、环A、X2、L、下标m、X1、R1、R2、R3、R4、R5和RN的含义如本文所述，并包含这种化合物的组合物和使用这种化合物和组合物的方法。
• PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS
  申请人：Wacker Dean A.

  公开号：US20090023702A1

  公开（公告）日：2009-01-22

  Novel compounds are provided which are GPR119 G protein-coupled receptor modulators. GPR119 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring GPR 119 G protein-coupled receptor modulator therapy. These novel compounds have the structure Formula I or Formula IA.

  提供了一些新的化合物，它们是GPR119 G蛋白偶联受体调节剂。GPR119 G蛋白偶联受体调节剂在治疗、预防或减缓需要GPR 119 G蛋白偶联受体调节剂疗法的疾病方面非常有用。这些新的化合物具有结构式I或结构式IA。
• Diaryl piperidines as CB1 modulators
  申请人：Scott D. Jack

  公开号：US20070203183A1

  公开（公告）日：2007-08-30

  A compound having the general structure of Formula (I): or a pharmaceutically acceptable salt, solvate, or ester thereof, are useful in treating diseases, disorders, or conditions such as metabolic syndrome (e.g., obesity, waist circumference, lipid profile, and insulin sensitivity), neuroinflammatory disorders, cognitive disorders, psychosis, addictive behavior, gastrointestinal disorders, and cardiovascular conditions.

  具有通式（I）的一种化合物，或其药学上可接受的盐、溶剂合物或酯，可用于治疗代谢综合征（例如肥胖、腰围、脂质谱和胰岛素敏感性）、神经炎症性疾病、认知障碍、精神病、成瘾行为、胃肠道疾病和心血管疾病等疾病、疾病或症状。
• [EN] SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES<br/>[FR] ACIDES SUBSTITUES POUR LE TRAITEMENT DE MALADIES RESPIRATOIRES
  申请人：ASTRAZENECA AB

  公开号：WO2006005909A1

  公开（公告）日：2006-01-19

  The invention relates to substituted acids of formula (I), where T,W,X,Y,Z,R1 and R2 as defined in the claims, as useful pharmaceutical compounds for treating asthma and rhinitis, pharmaceutical compositions containing them, and a processes for their preparation.

  该发明涉及公式（I）中T、W、X、Y、Z、R1和R2如权利要求中定义的取代酸，作为治疗哮喘和鼻炎的有用药物化合物，包含它们的药物组合物，以及它们的制备方法。