2,3-二氟-6-硝基苯胺 | 211693-73-1

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 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: 2,3-二氟-6-硝基苯胺
• 中文别名: 3,4-二氟苯-1,2-二胺；1,2-二氨基-3,4-二氟苯
• 英文名称: 2,3-difluoro-6-nitroaniline
• 英文别名: 2-amino-3,4-difluoronitro-benzene
• CAS: 211693-73-1
• 化学式: C₆H₄F₂N₂O₂
• mdl: MFCD00233313
• 分子量: 174.107
• InChiKey: DIPGYZSCGXBTEU-UHFFFAOYSA-N

物化性质

• 沸点：
  284.2±35.0℃ (760 Torr)
• 密度：
  1.554±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  125.7±25.9℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  71.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险等级：
  6.1
• 海关编码：
  2921420090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,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: 2,3-Difluoro-6-nitroaniline
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: 2,3-Difluoro-6-nitroaniline
CAS number: 211693-73-1

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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: C6H4F2N2O2
Molecular weight: 174.1

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (2,3-Difluoro-6-nitroaniline)

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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：

  2,3-二氟-6-硝基苯胺 在 碘 、 氯化铵 、 三乙胺 、 锌 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 32.0h， 生成 ethyl (2-amino-3-fluoro-4-((4-fluorobenzyl)amino)phenyl)carbamate
  参考文献：
  名称：

  Fluorinated 2-Amino-4-(Benzylamino)Phenylcarbamate Derivatives

  摘要：

  这项发明涉及氟化合物及其作为抗癫痫、肌肉松弛、降热和外周镇痛药物以及成像剂的用途。描述了ezogabine的新型氟化2-氨基-4-(苄氨基)苯基氨基甲酸酯衍生物及其药用可接受的盐或溶剂合物以及它们的用途。

  公开号：

  US20130287686A1
• 作为产物：
  描述：

  2,3,4-三氟硝基苯 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以91.2%的产率得到2,3-二氟-6-硝基苯胺
  参考文献：
  名称：

  ２，３−ジハロゲノアニリンの製造方法

  摘要：

  【课题】提供一种即使在非高温高压反应条件下也能高收率制造2,3-二羟基苯甲酸的方法。【解决手段】通过将1,2,3-三羟基-4-硝基苯中的3-羟基基团替换为氨基得到2,3-二羟基-6-硝基苯胺，接着让该氨基与甲酸作用从而得到1-(2,3-二羟基-6-硝基苯基)吡咯-2,5-二酮，然后将得到的1-(2,3-二羟基-6-硝基苯基)吡咯-2,5-二酮的6-硝基还原转化为6-氨基得到1-(2,3-二羟基-6-氨基苯基)吡咯-2,5-二酮（式（IV）），再然后还原6-氨基，通过包含开裂2,5-二氧杂-1-吡咯烷基并将其转化为氨基的步骤，制造2,3-二羟基苯甲酸。【选择图】无

  公开号：

  JP2015227293A

文献信息

• Substituted benzazoles and methods of their use as inhibitors of Raf kinase
  申请人：——

  公开号：US20040122237A1

  公开（公告）日：2004-06-24

  New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的替代苯唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用，也可以与至少一种额外药物结合，用于治疗由Raf激酶介导的疾病，如癌症。
• Quinolinone derivatives
  申请人：Chiron Coporation

  公开号：US20030028018A1

  公开（公告）日：2003-02-06

  Organic compounds having the formulas I and II are provided where the variables have the values described herein. 1 Pharmaceutical formulations include the organic compounds or pharmaceutically acceptable salts thereof and a pharmaceutically acceptable carrier and may be prepared by mixing the organic compounds or pharmaceutically acceptable salts of the organic compounds with a carrier and water. A method of treating a patient includes administering a pharmaceutical formulation according to the invention to a patient in need thereof.

  提供具有公式I和II的有机化合物，其中变量具有本文所述的值。药物制剂包括所述有机化合物或其药物可接受的盐和药物可接受的载体，可以通过将有机化合物或有机化合物的药物可接受的盐与载体和水混合来制备。治疗患者的方法包括向需要治疗的患者施用根据本发明制备的药物制剂。
• [EN] SELECTIVE POTASSIUM CHANNEL AGONISTS<br/>[FR] AGONISTES SÉLECTIFS DU CANAL POTASSIQUE
  申请人：UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION

  公开号：WO2019203951A1

  公开（公告）日：2019-10-24

  Selective potassium channel agonists and methods of use thereof are disclosed. A compound, or a pharmaceutically acceptable salt thereof, having a formula (I) wherein R1 is H or optionally-substituted alkyl; R2 is optionally-substituted C1-C6 alkyl or optionally- substituted cyclopropyl; R3 and R4 are each independently H or optionally- substituted alkyl; R5 is H, optionally-substituted alkyl, acyl, or alkoxycarbonyl; R6 and R7 are each independently H, optionally- substituted alkyl, or R6 and R7 together form a carbocycle; R8 is substituted phenyl or optionally-substituted pyridinyl, provided that if R8 is substituted phenyl, then R2 is optionally-substituted cyclopropyl; and R9, R10 and R11 are each independently H, halo, or optionally- substituted alkyl.

  揭示了选择性钾通道激动剂及其使用方法。一种化合物或其药学上可接受的盐，具有以下式(I)：其中R1为H或可选择地取代的烷基；R2为可选择地取代的C1-C6烷基或可选择地取代的环丙基；R3和R4各自独立地为H或可选择地取代的烷基；R5为H、可选择地取代的烷基、酰基或烷氧羰基；R6和R7各自独立地为H、可选择地取代的烷基，或R6和R7一起形成一个碳环；R8为取代的苯基或可选择地取代的吡啶基，但如果R8为取代的苯基，则R2为可选择地取代的环丙基；而R9、R10和R11各自独立地为H、卤素或可选择地取代的烷基。
• [EN] FUSED IMIDAZOLE DERIVATIVES AS IL-17 MODULATORS<br/>[FR] DÉRIVÉS D'IMIDAZOLE FUSIONNÉS UTILISÉS EN TANT QU'INHIBITEURS D'IL-17
  申请人：UCB BIOPHARMA SPRL

  公开号：WO2019138017A1

  公开（公告）日：2019-07-18

  A series of substituted fused bicyclic imidazole derivatives, including benzimidazole derivatives and analogues thereof, being potent modulators of human IL-17 activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including inflammatory and autoimmune disorders.

  一系列替代的融合双环咪唑衍生物，包括苯并咪唑衍生物及其类似物，作为强效的人IL-17活性调节剂，因此在治疗和/或预防各种人类疾病，包括炎症性和自身免疫性疾病方面具有益处。
• [EN] BENZIMIDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE
  申请人：PFIZER

  公开号：WO2021124155A1

  公开（公告）日：2021-06-24

  The invention relates to benzimidazoles of Formula (I) and pharmaceutically acceptable salts thereof, wherein R1 to R6 are as defined in the description; to their use in medicine; to compositions containing them; to processes for their preparation; and to intermediates used in such processes. The benzimidazoles of Formula (I) are ITK inhibitors and are therefore potentially useful in the treatment of a wide range of disorders including, atopic dermatitis.

  该发明涉及式（I）的苯并咪唑及其药用盐，其中R1至R6如描述中所定义；它们在医学上的应用；含有它们的组合物；它们的制备方法；以及在这些方法中使用的中间体。式（I）的苯并咪唑是ITK抑制剂，因此在治疗包括特应性皮炎在内的广泛疾病中有潜在用途。