2,4-二氟-6-硝基苯胺 | 364-30-7

• 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-6-硝基苯胺
• 中文别名: 2-氨基-3,5-二氟硝基苯
• 英文名称: 4,6-difluoro-2-nitroaniline
• 英文别名: 2-amino-3,5-difluoronitrobenzene；2,4-Difluoro-6-nitroaniline
• CAS: 364-30-7
• 化学式: C₆H₄F₂N₂O₂
• mdl: MFCD00034058
• 分子量: 174.107
• InChiKey: WPEUQAOOZXFRKZ-UHFFFAOYSA-N

物化性质

• 熔点：
  85-87°C
• 沸点：
  272.6±35.0 °C(Predicted)
• 密度：
  1.554±0.06 g/cm3(Predicted)

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
• 海关编码：
  2921420090
• 危险品标志：
  Xi
• 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

---

Section 1. Identification of the substance
Product Name: 2,4-Difluoro-6-nitroaniline
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,4-Difluoro-6-nitroaniline
CAS number: 364-30-7

---

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.

---

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.

---

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.

---

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:

---

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.

---

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

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,4-二氟-6-硝基苯胺 在 盐酸 、 tin 作用下， 反应 5.5h， 生成 (9ci)-4,6-二氟-1H-苯并咪唑
  参考文献：
  名称：

  化学酶法合成和5-取代的4,6-二氟苯并咪唑核糖和2'-脱氧核糖核苷的抗疱疹活性

  摘要：

  摘要 较早获得的一系列5,6-二取代苯并咪唑核苷在较低的体外细胞毒性下未显示任何显着的抗病毒活性。在我们的研究过程中，我们成功地将额外的氟原子引入苯并咪唑环系统。合成了一系列新的4,6-二氟苯并咪唑，在苯环的5-位带有多个基团（氟，甲氧基，乙氧基，吗啉代和吡咯烷基）。所有这些化合物被证明是转糖基化反应中重组大肠杆菌嘌呤核苷磷酸化酶（PNP）的底物。已经描述了高产率（60-90％）合成核糖-和2'-脱氧核糖核苷的有效方法，并形成了区域异构N已检测到苯并咪唑的3-核苷。阐明了针对1型单纯疱疹病毒（HSV-1）获得的核苷的生物活性。所有化合物在细胞培养Vero E6中均显示出低细胞毒性。4,5,6-三氟-1-（β- d-呋喃核糖基）苯并咪唑和5-甲氧基-4,6-二氟-1-（β- d -2'-脱氧核糖呋喃糖基）苯并咪唑被证明完全抑制了其发展。感染复数（MOI）为0.01 PFU /细胞时，病毒的细胞病变效应（CPE）。

  DOI：

  10.1055/s-0035-1560911
• 作为产物：
  描述：

  2,4-二氟乙酰苯胺 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以14%的产率得到2,4-二氟-6-硝基苯胺
  参考文献：
  名称：

  通过苯胺的氧化和芳基叠氮化物的热环化合成新型氟苯并呋喃

  摘要：

  提出了通过氟苯胺的氧化和氟芳基叠氮化物的热环化反应合成几种氟苯并呋喃的方法。NMR数据证明，本研究中制备的氟苯并呋喃具有互变异构现象。苯并呋喃恶烷一般具有生物活性，是用于制备具有重要药学应用的几种化合物的合成中间体。

  DOI：

  10.1016/s0022-1139(03)00011-3

文献信息

• 作为FGFR4抑制剂的杂环化合物
  申请人：齐鲁制药有限公司

  公开号：CN112341431A

  公开（公告）日：2021-02-09

  本发明提供了作为成纤维细胞生长因子受体4(FGFR4)选择性抑制剂的杂环化合物，含有所述化合物的药物组合物，所述化合物的制备方法和以及利用本发明化合物治疗细胞增殖性疾病，例如癌症的方法。
• Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them
  申请人：——

  公开号：US20020132842A1

  公开（公告）日：2002-09-19

  The invention relates to the use of compounds of formula I for the production of a medicament for the treatment of illnesses which can be influenced by inhibition of the Na+/H+ exchanger, and to a medicament comprising them. 1 in which R1 to R9 have the meanings shown in the claims.

  该发明涉及使用式I化合物制备用于治疗受Na+/H+交换体抑制影响的疾病的药物，以及包含它们的药物。其中R1至R9的含义如索赔中所示。
• 作为FGFR4抑制剂的稠合三环衍生物
  申请人：齐鲁制药有限公司

  公开号：CN112778308A

  公开（公告）日：2021-05-11

  本发明提供了作为成纤维细胞生长因子受体4(FGFR4)选择性抑制剂的稠合三环衍生物，含有所述化合物的药物组合物，所述化合物的制备方法和以及利用本发明化合物治疗细胞增殖性疾病，例如癌症的方法。
• Substituted Pyridazin-3(2<i>H</i>)-ones as Highly Potent and Biased Formyl Peptide Receptor Agonists
  作者：Girdhar Singh Deora、Cheng Xue Qin、Elizabeth A. Vecchio、Aaron J. Debono、Daniel L. Priebbenow、Ryan M. Brady、Julia Beveridge、Silvia C. Teguh、Minh Deo、Lauren T. May、Guy Krippner、Rebecca H. Ritchie、Jonathan B. Baell

  DOI：10.1021/acs.jmedchem.8b01912

  日期：2019.5.23

  Herein we describe the development of a focused series of functionalized pyridazin-3(2 H)-one-based formyl peptide receptor (FPR) agonists that demonstrate high potency and biased agonism. The compounds described demonstrated biased activation of prosurvival signaling, ERK1/2 phosphorylation, through diminution of the detrimental FPR1/2-mediated intracellular calcium (Cai2+) mobilization. Compound

  在这里，我们描述了重点功能化的哒嗪-3（2 H）-一基甲酰肽受体（FPR）激动剂系列的开发，这些激动剂显示出高效力和偏向激动性。所描述的化合物通过减少有害的FPR1 / 2介导的细胞内钙（Cai2 +）动员，证明了生存信号的活化偏向激活，ERK1 / 2磷酸化。对于ERK1 / 2的磷酸化，化合物50的EC50为0.083μM，在hFPR1处距Cai2 +动员约20倍。
• SAR156497, an Exquisitely Selective Inhibitor of Aurora Kinases
  作者：Jean-Christophe Carry、François Clerc、Hervé Minoux、Laurent Schio、Jacques Mauger、Anil Nair、Eric Parmantier、Ronan Le Moigne、Cécile Delorme、Jean-Paul Nicolas、Alain Krick、Pierre-Yves Abécassis、Véronique Crocq-Stuerga、Stéphanie Pouzieux、Laure Delarbre、Sébastien Maignan、Thomas Bertrand、Kirsten Bjergarde、Nina Ma、Sylvette Lachaud、Houlfa Guizani、Rémi Lebel、Gilles Doerflinger、Sylvie Monget、Sébastien Perron、Francis Gasse、Odile Angouillant-Boniface、Bruno Filoche-Rommé、Michel Murer、Sylvie Gontier、Céline Prévost、Marie-Line Monteiro、Cécile Combeau

  DOI：10.1021/jm501326k

  日期：2015.1.8

  demonstrated and have prompted intensive search for small molecule Aurora inhibitors. Indeed, over 10 of them have reached the clinic as potential anticancer therapies. We report herein the discovery and optimization of a novel series of tricyclic molecules that has led to SAR156497, an exquisitely selective Aurora A, B, and C inhibitor with in vitro and in vivo efficacy. We also provide insights into its

  丝氨酸/苏氨酸激酶的Aurora家族对于有丝分裂必不可少。已经证明了它们在广泛的恶性肿瘤中的细胞周期调控和异常表达中的关键作用，并促使人们对小分子Aurora抑制剂进行深入研究。实际上，其中超过10种已作为潜在的抗癌疗法进入临床。我们在此报告了一系列新的三环分子的发现和优化，这些分子导致了SAR156497，一种具有体外和体内功效的选择性选择性极光A，B和C抑制剂。我们还提供了有关其与靶蛋白结合模式的见解，这可以解释其选择性。