1-氯-3-氟-5-硝基-苯 | 4815-64-9

• 物质功能分类: 有机原料 - 有机氟化合物
• 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: 1-氯-3-氟-5-硝基-苯
• 中文别名: 3-氯-5-氟硝基苯
• 英文名称: 1-chloro-3-fluoro-5-nitrobenzene
• CAS: 4815-64-9
• 化学式: C₆H₃ClFNO₂
• 分子量: 175.547
• InChiKey: TZAGKOKYKROSOW-UHFFFAOYSA-N

物化性质

• 沸点：
  198-200 °C(Press: 762 Torr)
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1-Chloro-3-fluoro-5-nitrobenzene
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 1-Chloro-3-fluoro-5-nitrobenzene
CAS number: 4815-64-9

---

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: C6H3ClFNO2
Molecular weight: 175.5

---

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, 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：

  1-氯-3-氟-5-硝基-苯 在 碳酸氢钠 、 一水合肼 作用下， 以 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 48.0h， 生成 N-(3-chloro-5-fluoro-phenyl)-N-hydroxy-acetamide
  参考文献：
  名称：

  [EN] NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE
  [FR] NOUVEAUX DÉRIVÉS DE PURINE ET UTILISATION DE CEUX-CI DANS LE TRAITEMENT D'UNE MALADIE

  摘要：

  这项发明涉及到式(I)的PI3K抑制剂，其中所有变量均如规范中定义的那样，涉及到它们的制备，它们的医疗用途，特别是它们在癌症和神经退行性疾病治疗中的用途，以及包含它们的药物。

  公开号：

  WO2013061305A1
• 作为产物：
  描述：

  3-氯氟苯 生成 1-氯-3-氟-5-硝基-苯
  参考文献：
  名称：

  Kobrina,L.S.; Yakobson,G.G., Journal of general chemistry of the USSR, 1965, vol. 35, p. 2046 - 2052

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：AQUINNAH PHARMACEUTICALS INC

  公开号：WO2020117877A1

  公开（公告）日：2020-06-11

  Herein, compounds, compositions and methods for modulating inclusion formation and stress granules in cells related to the onset of neurodegenerative diseases, musculoskeletal diseases, cancer, ophthalmological diseases, and viral infections are described.

  在这里，描述了用于调节与神经退行性疾病、肌肉骨骼疾病、癌症、眼科疾病和病毒感染相关的细胞中包涵体形成和应激颗粒的化合物、组合物和方法。
• NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE
  申请人：NOVARTIS AG

  公开号：US20140336166A1

  公开（公告）日：2014-11-13

  The invention relates to PI3K inhibitors of the formula (I) • in which all of the variables are as defined in the specification, to their preparation, to their medical use, in particular to their use in the treatment of cancer and neurodegenerative disorders, and to medicaments comprising them.

  本发明涉及公式（I）的PI3K抑制剂，其中所有变量如规范中所定义，以及它们的制备方法、医疗用途（特别是在癌症和神经退行性疾病的治疗中的应用），以及包含它们的药物。
• Purine derivatives and their use in the treatment of disease
  申请人：Briard Emmanuelle

  公开号：US09334271B2

  公开（公告）日：2016-05-10

  The invention relates to PI3K inhibitors of the formula (I)• in which all of the variables are as defined in the specification, to their preparation, to their medical use, in particular to their use in the treatment of cancer and neurodegenerative disorders, and to medicaments comprising them.

  该发明涉及公式（I）的PI3K抑制剂，其中所有变量均如规范中定义的那样，涉及其制备，医学用途，特别是在癌症和神经退行性疾病的治疗中的使用，以及包含它们的药物。
• Verfahren zur Herstellung von 2,4-Dichlorfluorbenzol
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0539765A1

  公开（公告）日：1993-05-05

  Verfahren zur Herstellung von 2,4-Dichlorfluorbenzol in hoher Ausbeute und Reinheit ohne intermediäre Trennung der gebildeten Isomeren, indem man (1) 1 Mol Fluorbenzol mit einer Mischung, bestehend aus 35 bis 65 Gewichtsteilen 50 bis 90 %iger Schwefelsäure und 35 bis 65 Gewichtsteilen Nitriersäure, bestehend aus 35 bis 55 Gewichtsteilen 95 bis 98 %iger Schwefelsäure und 45 bis 65 Gewichtsteilen 96 bis 98 %iger Salpetersäure, mit der Maßgabe, daß 0,8 bis 2,0 Äquivalente nitrierendes Agens NO₂⁺ pro Mol Fluorbenzol zur Anwendung gelangen, bei 20 bis 90°C zum Nitrofluorbenzol nitriert, (2) auf je 100 g des erhaltenen Nitrofluorbenzol-Rohgemisches 25 g bis 150 g Chlor in Gegenwart eines Kernchlorierungskatalysators bei 20 bis 100°C einwirken läßt, und (3) auf je 100 g des erhaltenen Chlorfluornitrobenzol-Rohgemisches nach Entfernung des Kernchlorierungskatalysators etwa 18 g bis etwa 203 g Chlor oder äquivalente Mengen eines chlorabgebenden Mittels, bei 110 bis 220°C einwirken läßt und das 2,4-Dichlorfluorbenzol isoliert.

  一种高产率和高纯度制备 2,4-二氯氟苯的工艺，无需中间分离所形成的异构体， 该工艺包括 (1) 将 1 摩尔氟苯与由 35 至 65 份（重量百分比）50 至 90%硫酸和 35 至 65 份（重量百分比）硝酸组成的混合物反应、由 35 至 55 份（重量百分比）95 至 98% 的硫酸和 45 至 65 份（重量百分比）96 至 98% 的硝酸组成，但每摩尔氟苯需使用 0.8 至 2.0 等量的硝化剂 NO₂⁺、(2) 在核氯化催化剂存在下，在 20 至 100°C 下，让 25 至 150 克氯作用于每 100 克硝基氟苯粗混合物、(3) 去除核氯化催化剂后，让约 18 克至约 203 克氯或等量的氯释放剂在 110 至 220℃下作用于每 100 克所得氯氟硝基苯粗混合物，并分离出 2,4-二氯氟苯。
• Cannoni de Degiorgi; Zappi, Bulletin de la Societe Chimique de France, 1938, vol. <5> 5, p. 1441,1444
  作者：Cannoni de Degiorgi、Zappi

  DOI：——

  日期：——