N-(5-氯-4-甲基-2-硝基苯基)乙酰胺 | 7149-78-2

• 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: N-(5-氯-4-甲基-2-硝基苯基)乙酰胺
• 中文别名: N-(2-硝基-4-甲基-5-氯苯基)乙酰胺
• 英文名称: 5-chloro-4-methyl-2-nitroacetanilide
• 英文别名: N-Acetyl-5-chlor-2-nitro-p-toluidin；acetic acid-(5-chloro-4-methyl-2-nitro-anilide)；Essigsaeure-(5-chlor-4-methyl-2-nitro-anilid)；6-Chlor-3-nitro-4-acetamino-toluol；N-(5-chloro-4-methyl-2-nitrophenyl)acetamide
• CAS: 7149-78-2
• 化学式: C₉H₉ClN₂O₃
• 分子量: 228.635
• InChiKey: KEELZFXRQAZCJA-UHFFFAOYSA-N

物化性质

• 熔点：
  104-105°
• 沸点：
  410.4±45.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Acetamido-2-chloro-5-nitrotoluene
Synonyms: N-(5-Chloro-4-methyl-2-nitrophenyl)acetamide; N-Acetyl 5-chloro-4-methyl-2-nitroaniline

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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-Acetamido-2-chloro-5-nitrotoluene
CAS number: 7149-78-2

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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: C9H9ClN2O3
Molecular weight: 228.6

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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 chloride.

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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：

  N-(5-氯-4-甲基-2-硝基苯基)乙酰胺 在 platinum(IV) oxide 硫酸 、 氢气 作用下， 以 乙醇 、 甲苯 为溶剂， 25.0~130.0 ℃ 、506.62 kPa 条件下， 反应 4.0h， 生成 2-amino-4-methyl-5-chloro-N-methylaminobenzene
  参考文献：
  名称：

  Criddle, W. J.; Ellis, G. P.; Jones, R. T., Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 1635 - 1636

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氯-4-甲基苯胺 在 4-二甲氨基吡啶 、 硝酸 、 乙酸酐 、 三乙胺 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 11.0h， 生成 N-(5-氯-4-甲基-2-硝基苯基)乙酰胺
  参考文献：
  名称：

  [EN] FLAVIN DERIVATIVES
  [FR] DÉRIVÉS DE LA FLAVINE

  摘要：

  本发明涉及新型黄素衍生物和其他黄素衍生物，它们的用途以及用作核糖开关配体和/或抗感染剂的组合物。该发明还提供了制备新型黄素衍生物的方法。

  公开号：

  WO2010019208A1

文献信息

• [EN] MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS<br/>[FR] INHIBITEURS DE PROSTAGLANDINE E SYNTHASE-1 (MPGES1) MICROSOMALE
  申请人：NOVASAID AB

  公开号：WO2011023812A1

  公开（公告）日：2011-03-03

  A compound of formula (I): as well as pharmaceutically acceptable salts thereof, and a pharmaceutical composition comprising the compound. The compound is useful for the treatment of disorder selected from inflammatory diseases, nociceptive pain, auto-immune disease, breathing disorders, fever, cancer, inflammation related anorexia, Alzheimer's disease and cardiovascular diseases.

  公式（I）的化合物，以及其药用盐，以及包括该化合物的药物组合物。该化合物用于治疗选择自炎性疾病、伤害性疼痛、自身免疫疾病、呼吸系统疾病、发热、癌症、与炎症相关的厌食症、阿尔茨海默病和心血管疾病的紊乱。
• FLAVIN DERIVATIVES
  申请人：Gadwood Robert

  公开号：US20120077781A1

  公开（公告）日：2012-03-29

  The present invention relates novel flavin derivatives and other flavin derivatives, their use and compositions for use as riboswitch ligands and/or anti-infectives. The invention also provides method of making novel flavin derivatives.

  本发明涉及新型的黄素衍生物和其他黄素衍生物，它们的用途和组合物用作核糖开关配体和/或抗感染剂。本发明还提供了制备新型黄素衍生物的方法。
• 一种邻硝基酰基苯胺类化合物的制备方法
  申请人：湖北工业大学

  公开号：CN113999130A

  公开（公告）日：2022-02-01

  本发明公开一种邻硝基酰苯胺类化合物的制备方法，属于有机合成技术领域。该邻硝基酰苯胺类化合物的制备方法，包括以下步骤：将酰苯胺类化合物、亚硝酸叔丁酯和溶剂混合，在20‑60℃下搅拌反应得到所述邻硝基酰基苯胺类化合物。该制备方法无需催化剂或氧化剂，得到的邻硝基酰苯胺类化合物具有较高的产率，产率可高达93％。
• Davies, Journal of the Chemical Society, 1921, vol. 119, p. 868
  作者：Davies

  DOI：——

  日期：——
• Cardiotonic agents. Synthesis and cardiovascular properties of novel 2-arylbenzimidazoles and azabenzimidazoles
  作者：Timur Gungor、Andre Fouquet、Jean Marie Teulon、Daniel Provost、Michele Cazes、Alix Cloarec

  DOI：10.1021/jm00101a024

  日期：1992.11

  Novel 2-arylbenzimidazoles and azabenzimidazoles were synthesized, and their inotropic action was evaluated. Changes in left ventricular pressure, dP/dt max, were measured as an index of cardiac contractility. The structural features that impart optimal inotropic activity are presented. The most potent compounds were evaluated orally in conscious dogs with implanted Konigsberg pressure transducers. To investigate the mechanism of action, the most potent compounds were tested for their calcium-sensitizing properties and their potential for the inhibition of phosphodiesterase. Two compounds, 1 and 4 1, showed interesting in vitro and oral activity without side effects. They have a more potent calcium-sensitizing effect than MCI-154 and are under futher investigation.