3-氯-4,5-二氟硝基苯 | 53780-44-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟硝基苯系列
• 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: 3-氯-4,5-二氟硝基苯
• 英文名称: 1-Chloro-2,3-difluoro-5-nitrobenzene
• 英文别名: 3-chloro-4,5-difluoronitrobenzene
• CAS: 53780-44-2
• 化学式: C₆H₂ClF₂NO₂
• mdl: MFCD06658261
• 分子量: 193.537
• InChiKey: BSKCLLCICPDISV-UHFFFAOYSA-N

物化性质

• 沸点：
  232.6±35.0 °C(Predicted)
• 密度：
  1.591±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-4,5-difluoronitrobenzene
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: 3-Chloro-4,5-difluoronitrobenzene
CAS number: 53780-44-2

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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: C6H2ClF2NO2
Molecular weight: 193.5

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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, hydrogen chloride, 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：

  3-氯-4,5-二氟硝基苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 氢溴酸 、 potassium acetate 、 铁粉 、 sodium carbonate 、 溶剂黄146 、 copper(I) bromide 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 反应 32.0h， 生成 5-(5-(3-chloro-4,5-difluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol
  参考文献：
  名称：

  BORON-CONTAINING SMALL MOLECULES

  摘要：

  这项发明提供了新颖的化合物，使用这些化合物的方法，以及包含这些化合物的药物配方。

  公开号：

  US20130131016A1
• 作为产物：
  描述：

  3,4-二氟硝基苯 在 一氧化二氯 、 硫酸 作用下， 以 四氯化碳 、 水 为溶剂， 生成 3-氯-4,5-二氟硝基苯
  参考文献：
  名称：

  Therapeutic modulation of PPARgamma activity

  摘要：

  PPARγ活性调节剂被用于治疗和/或预防骨质疏松症、阿尔茨海默病、银屑病和痤疮以及癌症等疾病的方法中。

  公开号：

  US20050250820A1

文献信息

• FUSED HETEROCYCLIC COMPOUND
  申请人：ISHIKAWA Tomoyasu

  公开号：US20090233937A1

  公开（公告）日：2009-09-17

  The present invention provides a fused heterocyclic compound having a tyrosine kinase inhibitory action, which is represented by the formula: wherein ring A is an optionally substituted benzene ring; ring B is an optionally substituted benzoisothiazole ring; R 1 is a hydrogen atom, a halogen atom, or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom; R 2 is a hydrogen atom, or an optionally substituted group bonded via a carbon atom or a sulfur atom; R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group; or R 1 and R 2 , or R 2 and R 3 are optionally bonded to each other to form an optionally substituted ring structure; or R 3 is optionally bonded to the carbon atom on ring A to form an optionally substituted ring structure; or a salt thereof.

  本发明提供了一种具有酪氨酸激酶抑制作用的融合杂环化合物，其由以下式表示： 其中 环A是一个可选择取代的苯环； 环B是一个可选择取代的苯并异噻唑环； R1是氢原子、卤素原子或通过碳原子、氮原子或氧原子键合的可选择取代基团； R2是氢原子，或通过碳原子或硫原子键合的可选择取代基团； R3是氢原子或可选择取代的脂肪烃基团； 或 R1和R2，或R2和R3可选择键合在一起形成一个可选择取代的环结构； 或 R3可选择键合到环A上的碳原子上形成一个可选择取代的环结构； 或其盐。
• [EN] NOVEL COMPOUNDS AND THEIR USES AS THYROID HORMONE RECEPTOR AGONISTS<br/>[FR] NOUVEAUX COMPOSÉS ET LEURS UTILISATIONS EN TANT QU'AGONISTES DU RÉCEPTEUR DE L'HORMONE THYROÏDIENNE
  申请人：NANJING RUIJIE PHARMA CO LTD

  公开号：WO2020169069A1

  公开（公告）日：2020-08-27

  A compound of formula (I) or (Ia), or a tautomer or a pharmaceutically acceptable salt thereof is provided. Compounds of formula (II) to (V), or a tautomer or a pharmaceutically acceptable salt thereof are also provided. These compounds and the pharmaceutical compositions containing them are useful for the treatment of diseases such as obesity, hyperlipidemia, hypercholesterolemia and diabetes and other related disorders and diseases, and may be useful for other diseases such as NASH, atherosclerosis, cardiovascular diseases, hypothyroidism, thyroid cancer and other disorders and diseases related thereto． (I), (Ia)

  提供了一种公式(I)或(Ia)的化合物，或其同分异构体或药用可接受的盐。还提供了公式(II)至(V)的化合物，或其同分异构体或药用可接受的盐。这些化合物以及含有这些化合物的药物组合物可用于治疗肥胖、高脂血症、高胆固醇血症、糖尿病以及与这些疾病相关的其他疾病和障碍，并且可能对其他疾病如非酒精性脂肪肝炎(NASH)、动脉粥样硬化、心血管疾病、甲状腺功能减退、甲状腺癌以及与这些疾病和障碍相关的其他疾病有益。
• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2013096744A1

  公开（公告）日：2013-06-27

  The present invention includes a method of inhibiting, suppressing or preventing HBV infection in an individual in need thereof, comprising administering to the individual a therapeutically effective amount of at least one compound of the invention.

  本发明包括一种抑制、压制或预防需要的人体内HBV感染的方法，包括向个体投给治疗有效量的至少一种本发明的化合物。
• [EN] LXR MODULATORS<br/>[FR] MODULATEURS DES LXR
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014144037A1

  公开（公告）日：2014-09-18

  The present invention provides compounds of Formula I: and pharmaceutically acceptable salts or solvates thereof, as modulators of liver X receptors (LXR), compositions comprising any of such novel compounds, methods of using these compounds or compositions as medicaments for prevention or treatment of diseases or disorders related to liver X receptor (LXR), as well as methods of preparing these LXR modulators and using them in the manufacture of medicaments.

  本发明提供了式I的化合物及其药学上可接受的盐或溶剂化合物，作为肝X受体（LXR）的调节剂，包括任何此类新化合物的组合物，使用这些化合物或组合物作为预防或治疗与肝X受体（LXR）相关的疾病或紊乱的药物的方法，以及制备这些LXR调节剂的方法，并将它们用于药物的制造。
• [EN] DIHYDROOROTATE DEHYDROGENASE INHIBITORS<br/>[FR] INHIBITEURS DE DIHYDROOROTATE DÉSHYDROGÉNASE
  申请人：JANSSEN BIOTECH INC

  公开号：WO2020212897A1

  公开（公告）日：2020-10-22

  Disclosed are compounds, compositions and methods for treating diseases, disorders, or medical conditions that are affected by the modulation of DHODH. Such compounds are represented by Formula (I) as follows: wherein R1, R2, R3, R4, X, and Y are defined herein.

  揭示了一种通过调节DHODH来治疗受影响的疾病、紊乱或医疗状况的化合物、组合物和方法。这些化合物由以下式（I）所代表：其中R1、R2、R3、R4、X和Y在此处定义。