2,6-二氟三氟甲基苯 | 64248-60-8

• 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: 2,6-二氟三氟甲基苯
• 中文别名: 2,6-二氟三氟甲苯
• 英文名称: 1,3-difluoro-2-(trifluoromethyl)benzene
• 英文别名: 2,6-difluorobenzotrifluoride
• CAS: 64248-60-8
• 化学式: C₇H₃F₅
• mdl: MFCD03412213
• 分子量: 182.093
• InChiKey: NKKFHDNJRMWBFS-UHFFFAOYSA-N

物化性质

• 沸点：
  121.0±35.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2903999090
• 危险品标志：
  Xi

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,6-Difluorobenzotrifluoride
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: 2,6-Difluorobenzotrifluoride
CAS number: 64248-60-8

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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: C7H3F5
Molecular weight: 182.1

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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, 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：

  2,6-二氟三氟甲基苯 在 正丁基锂 、 草酰氯 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 2,4-difluoro-3-trifluoromethylbenzoyl chloride
  参考文献：
  名称：

  [EN] AMIDES OF 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AND THEIR SALTS
  [FR] AMIDES DE COMPOSÉS DE 2-AMINO-4-ARYLTHIAZOLE ET LEURS SELS

  摘要：

  公开号：

  WO2013183035A3
• 作为产物：
  描述：

  2,6-二氯三氟甲基苯 在 potassium fluoride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以95.33 %的产率得到2,6-二氟三氟甲基苯
  参考文献：
  名称：

  [EN] METHOD FOR PRODUCING FLUORINATED AROMATIC COMPOUND
  [FR] PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ AROMATIQUE FLUORÉ
  [JA] フッ素含有芳香族化合物の製造方法

  摘要：

  一般式（１）： ［式中、Ｒ１は水素原子、水酸基、フッ素原子、シアノ基、ニトロ基、炭化水素基又はパーフルオロアルキル基を示す。Ｘ１は同一又は異なって、フッ素原子以外のハロゲン原子を示す。ｎは１～６の整数を示す。ｎ１は１～６の整数を示す。ただし、ｎ≧ｎ１であり、且つ、ｎが２～６の整数である場合、ｎ１は２～６の整数を示す。］ で表される化合物の製造方法であって、 窒素含有有機化合物を含む溶媒中で、 アルキル基を１個以上有するホスホニウム塩の存在下に、 一般式（２）： ［式中、Ｒ１、Ｘ１及びｎは前記に同じである。］ で表される化合物と、 金属フッ化物とを反応させ、ｎが２以上の整数である場合は２個以上のＸ１をフッ素化させて、上記一般式（１）で表される化合物を生成させる工程 を備える、製造方法。当該製造方法は、フッ素含有芳香族化合物を効率よく製造することができる新規な方法である。

  公开号：

  WO2023063301A1

文献信息

• Synthesis and Characterization of a Series of Bis-homoleptic Cycloruthenates with Terdentate Ligands as a Family of Panchromatic Dyes
  作者：Thomas W. Rees、JinFeng Liao、Alessandro Sinopoli、Louise Male、Giuseppe Calogero、Basile F.E. Curchod、Etienne Baranoff

  DOI：10.1021/acs.inorgchem.7b01412

  日期：2017.8.21

  A series of six homoleptic bis-cyclometalated ruthenium complexes, Ru(N^N^C)2, is reported where N^N^C is a 6-(2,4-difluoro-3-R3-phenyl)-4-R2-4′-R1-2,2′-bipyridine with R3 = −H or −CF3 and R2 and R1 = −COOEt or −CF3. An effective synthesis of the ligands and the complexes is described. The UV–visible absorption studies demonstrate that these complexes are panchromatic dyes absorbing up to 900 nm. Importantly

  报道了一系列六个均一的双环金属化钌络合物Ru（N ^ N ^ C）2，其中N ^ N ^ C是6-（2,4-二氟-3-R 3-苯基）-4- R 2 -4'-R 1 -2,2'-联吡啶，其中R 3 = -H或-CF 3且R 2和R 1 = -COOEt或-CF 3。描述了配体和配合物的有效合成。紫外可见吸收研究表明，这些络合物是吸收高达900 nm的全色染料。重要的是，吸收的开始仅取决于金属化苯基上的取代，而整个光谱的吸收强度是苯基和联吡啶部分上的取代基的函数。在电化学中观察到相同的趋势，因为氧化还原间隙仅取决于金属化苯基上的取代，而氧化和还原电势是苯基和联吡啶部分上的取代基的函数。用作染料敏化太阳能电池敏化剂的初步测试表明，染料上的锚定基团数量对器件效率有重要影响。
• Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF₃in aqueous media
  作者：Anton Lishchynskyi、Guillaume Berthon、Vladimir V. Grushin

  DOI：10.1039/c4cc04930f

  日期：——

  A new protocol has been developed for trifluoromethylation of arenediazonium salts with moisture-sensitive CuCF3 (from fluoroform) in aqueous media. The reaction is governed by a radical mechanism, tolerates a broad variety of functional groups, and is applicable to the synthesis of complex, polyfunctionalized molecules.

  开发了一种新的协议，用于在水性介质中通过对湿度敏感的CuCF3（来自氟仿）对芳香重氮盐进行三氟甲基化反应。该反应受自由基机制调控，能容忍广泛的官能团，并可应用于复杂、多官能化分子的合成。
• [EN] DOPAMINE D2 RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RÉCEPTEURS DOPAMINERGIQUES D2
  申请人：BROAD INST INC

  公开号：WO2016100940A1

  公开（公告）日：2016-06-23

  The present invention relates to novel dopamine D2 receptor ligands. The invention further relates to functionally-biased dopamine D2 receptor ligands and the use of these compounds for treating or preventing central nervous system and systemic disorders associated with dysregulation of dopaminergic activity. The present invention relates to novel compounds that modulate dopamine D2 receptors. In particular, compounds of the present invention show functional selectivity at the dopamine D2 receptors and exhibit selectivity downstream of the D2 receptors, on the 0- arrestin pathway and/or on the cAMP pathway.

  本发明涉及新型多巴胺D2受体配体。该发明进一步涉及功能偏向的多巴胺D2受体配体以及利用这些化合物治疗或预防与多巴胺活性失调相关的中枢神经系统和全身性疾病。本发明涉及调节多巴胺D2受体的新型化合物。具体而言，本发明的化合物在多巴胺D2受体上显示功能选择性，并在D2受体下游、0-阿雷斯汀途径和/或cAMP途径上表现出选择性。
• THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE
  申请人：Breitfelder Steffen

  公开号：US20070238730A1

  公开（公告）日：2007-10-11

  Disclosed are compounds of general formula (I), wherein the groups R 1 , R 2 , R a and R b have the meanings given in the claims and specification, the tautomers, racemates, enantiomers, diastereomers and the mixtures thereof, and optionally the pharmacologically acceptable acid addition salts, solvates and hydrates thereof, and processes for preparing these thiazolyl-dihydro-cyclopentapyrazoles and the use thereof as pharmaceutical compositions.

  揭示了一般式(I)的化合物，其中基团R1、R2、Ra和Rb具有索赔和说明中给定的含义，其互变异构体、消旋体、对映体、非对映异构体及其混合物，以及可选择的药理学上可接受的酸盐、溶剂合物和水合物，以及制备这些噻唑基-二氢-环戊吡唑和将其用作药物组合物的方法。
• 苯基砜衍生物及其在药物上的应用
  申请人：广东东阳光药业有限公司

  公开号：CN110117264B

  公开（公告）日：2023-06-09

  本发明公开了苯基砜衍生物及其在药物上的应用，具体地，本发明涉及一类新颖的苯基砜衍生物以及包含该类化合物的药物组合物。本发明还涉及制备这类化合物和药物组合物的方法，以及它们在制备治疗与5‑HT6受体有关的疾病，特别是阿尔茨海默症的药物中的用途。