4-氟-2-硝基苯甲酰胺 | 106754-80-7

• 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: 4-氟-2-硝基苯甲酰胺
• 英文名称: 4-fluoro-2-nitrobenzamide
• CAS: 106754-80-7
• 化学式: C₇H₅FN₂O₃
• mdl: MFCD04108565
• 分子量: 184.127
• InChiKey: VSWSFFDDRSVJSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Fluoro-2-nitrobenzamide
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: 4-Fluoro-2-nitrobenzamide
CAS number: 106754-80-7

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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: C7H5FN2O3
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：

  4-氟-2-硝基苯甲酰胺 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 为溶剂， 以100%的产率得到2-氨基-4-氟-苯甲酰胺
  参考文献：
  名称：

  4-喹唑啉酮衍生物的合成和组胺H2-拮抗剂活性。

  摘要：

  为了开发新的抗溃疡药物，合成了一系列4-喹唑啉酮衍生物，并测试了其组胺H2拮抗剂活性和胃抗分泌活性。因此，合成了2-烷基氨基（8a-d，10a-s）、2-烷基硫基（15）以及2-烷基-4-喹唑啉酮（18a-k），其方法分别是将烷基胺与2-氯或2-甲硫基-4-喹唑啉酮缩合、将烷基溴化物与2-巯基-4-喹唑啉酮缩合，以及将烷基羧酸与氨基苯甲酸酰胺缩合。合成的几种4-喹唑啉酮衍生物显示出强效的H2拮抗剂活性，其中一种2-[3-[3-(1-哌啶基甲基)苯氧]丙氨基]-4(3H)-喹唑啉酮（8d）表现出最强的抗分泌活性。讨论了结构-活性关系。

  DOI：

  10.1248/cpb.36.2955
• 作为产物：
  描述：

  4-氟-2-硝基苯胺 在 盐酸 、 硫酸 、 sodium nitrite 作用下， 反应 7.0h， 生成 4-氟-2-硝基苯甲酰胺
  参考文献：
  名称：

  Protiva, Miroslav; Jilek, Jiri; Rajsner, Miroslav, Collection of Czechoslovak Chemical Communications, 1986, vol. 51, # 3, p. 698 - 722

  摘要：

  DOI：

文献信息

• Diversified facile synthesis of benzimidazoles, quinazolin-4(3H)-ones and 1,4-benzodiazepine-2,5-diones via palladium-catalyzed transfer hydrogenation/condensation cascade of nitro arenes under microwave irradiation
  作者：Kaicheng Zhu、Jian-Hong Hao、Cheng-Pan Zhang、Jiajun Zhang、Yiqing Feng、Hua-Li Qin

  DOI：10.1039/c4ra15765f

  日期：——

  An efficient methodology for diversified preparation of benzimidazole, quinazolin-4(3H)-ones and 1,4-benzodiazepine-2,5-diones is established using a Pd-CTH/condensation cascade of nitro arenes in a TEA–formic acid mixture under microwave irradiation.

  一种高效的方法学已建立，用于在微波辐射下利用Pd-CTH/缩合级联反应在TEA-甲酸混合物中多样化制备苯并咪唑、喹唑啉-4(3H)-酮和1,4-苯二氮杂环己酮。
• HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE
  申请人：Borchardt Allen J.

  公开号：US20100120741A1

  公开（公告）日：2010-05-13

  The present invention relates to compounds and methods which may be useful as inhibitors of H 1 R and/or H 4 R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

  本发明涉及化合物和方法，这些化合物和方法可能用作H1R和/或H4R的抑制剂，用于治疗或预防炎症性、自身免疫性、过敏性和眼部疾病。
• Palladium-catalyzed one-pot synthesis of 2-substituted quinazolin-4(3<i>H</i>)-ones from <i>o</i>-nitrobenzamide and alcohols
  作者：Ke Wang、Hao Chen、Xinyan Dai、Xupeng Huang、Zhiqiang Feng

  DOI：10.1039/d1ra01755a

  日期：——

  Palladium-catalyzed 2-substituted quinazolin-4(3H)-one formation from readily available o-nitrobenzamides and alcohols using hydrogen transfer is described. Various quinazolin-4(3H)-ones were obtained in good to high yields. The cascade reaction including alcohol oxidation, nitro reduction, condensation, and dehydrogenation occurs without any added reducing or oxidizing agent.

  描述了钯催化的 2-取代的 quinazolin-4(3 H )-one 使用氢转移从容易获得的o - nitrobenzamides 和醇中形成。各种 quinazolin-4(3 H )-ones 以良好至高产率获得。包括醇氧化、硝基还原、缩合和脱氢的级联反应在没有任何添加的还原剂或氧化剂的情况下发生。
• M3muscarinic acetylcholine receptor antagonists
  申请人：Laine I. Dramane

  公开号：US20050277676A1

  公开（公告）日：2005-12-15

  M 3 Muscarinic Acetylcholine Receptor Antagonists and methods of using them are provided.

  本文提供了M3型肌肉型乙酰胆碱受体拮抗剂及其使用方法。
• JILEK, JIRI;PROTIVA, MIROSLAV;POMYKACEK, JOSEF
  作者：JILEK, JIRI、PROTIVA, MIROSLAV、POMYKACEK, JOSEF

  DOI：——

  日期：——