2,4-二氟-5-硝基苯腈 | 67152-20-9

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯腈系列
• 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: 2,4-二氟-5-硝基苯腈
• 中文别名: 2,4-二氟-5-硝基苯甲腈
• 英文名称: 2,4-difluoro-5-nitrobenzonitrile
• CAS: 67152-20-9
• 化学式: C₇H₂F₂N₂O₂
• 分子量: 184.102
• InChiKey: MREZSSGRNNMUKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  271.5±40.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 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：
  69.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2926909090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Difluoro-5-nitrobenzonitrile
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: 2,4-Difluoro-5-nitrobenzonitrile
CAS number: 67152-20-9

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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: C7H2F2N2O2
Molecular weight: 184.1

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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 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：

  2,4-二氟-5-硝基苯腈 在 zinc(II) cyanide 、 四(三苯基膦)钯 、 铁粉 、 溶剂黄146 、 sodium nitrite 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 4,6-二氟间苯二腈
  参考文献：
  名称：

  一种4,6-双卤代间苯二腈的制备方法

  摘要：

  本发明涉及药物中间体合成技术领域，尤其是一种4,6‑双卤代间苯二腈的制备方法，通过采用廉价易得的2,4‑双卤代苯甲酸为原料，经过卤化反应、酰胺化反应、脱水反应、硝化反应、还原反应、重氮化反应、取代反应合成4,6‑双卤代间苯二腈；总收率可达到21.5％。该工艺路线原料廉价易得，副产物少，纯化处理工序简单，易于实现工业化生产。

  公开号：

  CN106854165B
• 作为产物：
  描述：

  2,4-二氟苯甲酸 在 ammonium hydroxide 、 氯化亚砜 、 硫酸 、 硝酸 、 N,N-二甲基甲酰胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.5h， 生成 2,4-二氟-5-硝基苯腈
  参考文献：
  名称：

  一种4,6-双卤代间苯二腈的制备方法

  摘要：

  本发明涉及药物中间体合成技术领域，尤其是一种4,6‑双卤代间苯二腈的制备方法，通过采用廉价易得的2,4‑双卤代苯甲酸为原料，经过卤化反应、酰胺化反应、脱水反应、硝化反应、还原反应、重氮化反应、取代反应合成4,6‑双卤代间苯二腈；总收率可达到21.5％。该工艺路线原料廉价易得，副产物少，纯化处理工序简单，易于实现工业化生产。

  公开号：

  CN106854165B

文献信息

• [1,2,4]triazolo[4,3-a]quinoxaline compounds
  申请人：Novo Nordisk A/S

  公开号：US05532236A1

  公开（公告）日：1996-07-02

  The present invention relates to [1,2,4]triazolo[4,3-a quinoxaline derivatives of formula I ##STR1## wherein one of R.sup.1 and R.sup.2 is a 5- or 6-membered nitrogen-containing heterocyclic ring which is optionally substituted with one, two or three substituents, wherein each substituent is independently phenyl or C.sub.1-6 -alkyl, or one of R.sup.1 and R.sup.2 is a fused ring system comprising a 5- or 6-membered nitrogen-containing heterocyclic ring and a benzene, pyridine, pyrimidine or pyrazine ring, wherein the fused ring system is optionally substituted with phenyl or C.sub.1-6 -alkyl; and the other of R.sup.1 and R.sup.2 is hydrogen, C.sub.1-6 -alkyl, C.sub.1-6 -alkoxy, halogen, NO.sub.2, NH.sub.2, CN, CF.sub.3, COC.sub.1-6 -alkyl or SO.sub.2 NR'R", wherein R' and R" are independently hydrogen or C.sub.1-6 -alkyl; and X is O or S; and pharmaceutically acceptable salts thereof. The compounds have affinity for the AMPA receptors and are antagonists in connection with this type of receptors which makes them useful in the treatment of CNS ailments, especially in the treatment of any of the numerous indications caused by hyperactivity of excitatory amino acids.

  本发明涉及式I的[1,2,4]三唑并[4,3-a]喹喔啉衍生物，其中R.sup.1和R.sup.2中的一个是5-或6-成员含氮杂环，可以选择性地用一个、两个或三个取代基取代，其中每个取代基独立地是苯基或C.sub.1-6-烷基，或者R.sup.1和R.sup.2中的一个是包括5-或6-成员含氮杂环和苯、吡啶、嘧啶或吡嗪环的融合环系统，其中融合环系统可以选择性地用苯基或C.sub.1-6-烷基取代；另一个是氢、C.sub.1-6-烷基、C.sub.1-6-烷氧基、卤素、NO.sub.2、NH.sub.2、CN、CF.sub.3、COC.sub.1-6-烷基或SO.sub.2NR'R"中的一个，其中R'和R"独立地是氢或C.sub.1-6-烷基；X是O或S；以及其药学上可接受的盐。这些化合物对AMPA受体具有亲和力，并且在与这种类型的受体有关的拮抗作用，使它们在治疗中枢神经系统疾病方面有用，特别是在治疗由兴奋性氨基酸过度活跃引起的众多症状的治疗中。
• [EN] MACROCYCLES AND THEIR USE<br/>[FR] MACROCYCLES ET LEUR UTILISATION
  申请人：BLOSSOMHILL THERAPEUTICS INC

  公开号：WO2022011123A1

  公开（公告）日：2022-01-13

  The present disclosure relates to macrocyclic compounds, pharmaceutical compositions containing macrocyclic compounds, and methods of using macrocyclic compounds to treat disease, such as cancer.

  本公开涉及大环化合物、含有大环化合物的药物组合物，以及利用大环化合物治疗疾病（如癌症）的方法。
• [EN] OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] COMPOSÉS D'OXAZOLIDINONE ET LEURS DÉRIVÉS
  申请人：AMGEN INC

  公开号：WO2013134079A1

  公开（公告）日：2013-09-12

  Compounds of Formula (I) and Formula (II) are useful inhibitors of tankyrase. Compounds of Formula (I) and Formula (II) have the following structure: where the definitions of the variables are provided herein.

  式(I)和式(II)的化合物是坦克酶的有用抑制剂。式(I)和式(II)的化合物具有以下结构：其中变量的定义在此提供。
• [EN] FACTOR IXa INHIBITORS<br/>[FR] INHIBITEURS DE FACTEUR IXA
  申请人：MERCK SHARP & DOHME

  公开号：WO2014099694A1

  公开（公告）日：2014-06-26

  The present invention provides a compound of Formula (I) wherein A is a heterocycle ring system and B is a heterocycle ring system or aryl ring system, and pharmaceutical compositions comprising one or more of said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明提供了一种化合物，其化学式为（I），其中A是一个杂环环系统，B是一个杂环环系统或芳香环系统，以及包含一种或多种所述化合物的药物组合物，以及使用所述化合物用于治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。
• [EN] TRPA1 MODULATORS<br/>[FR] MODULATEURS DE TRPA1
  申请人：ALGOMEDIX INC

  公开号：WO2015103060A1

  公开（公告）日：2015-07-09

  This disclosure relates to polycyclic heteroaromatic compounds useful as TRPA1 modulators, as well as compositions and methods of treating pain that include the compounds.

  这份披露涉及到多环杂芳化合物，这些化合物可用作TRPA1调节剂，以及包括这些化合物的用于治疗疼痛的组合物和方法。