4-溴-2,5-二氟苯甲醛 | 357405-75-5

• 物质功能分类: 有机原料 - 醛类化合物
• 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: 4-溴-2,5-二氟苯甲醛
• 中文别名: 4-溴-2,5-二氟-苯甲醛；2,5-二氟-4-溴苯甲醛
• 英文名称: 4-bromo-2,5-difluorobenzaldehyde
• CAS: 357405-75-5
• 化学式: C₇H₃BrF₂O
• 分子量: 221.001
• InChiKey: PDRHYPUKWIHZMP-UHFFFAOYSA-N

物化性质

• 沸点：
  237℃
• 密度：
  1.758
• 闪点：
  97℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2913000090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  温度：2-8°C，保持惰性气体氛围。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Bromo-2,5-difluorobenzaldehyde
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-2,5-difluorobenzaldehyde
CAS number: 357405-75-5

---

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: C7H3BrF2O
Molecular weight: 221.0

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, hydrogen bromide.

---

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：

  4-溴-2,5-二氟苯甲醛 在 吡啶 、 三聚氯氰 、 盐酸羟胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 4-溴-2,5-二氟苯甲腈
  参考文献：
  名称：

  US2014/274696

  摘要：

  公开号：
• 作为产物：
  描述：

  1,4-二溴-2,5-二氟苯 在 ammonium chloride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到4-溴-2,5-二氟苯甲醛
  参考文献：
  名称：

  Imidazole Substituted Pyrimidines

  摘要：

  式（I）的化合物，其中R1为氢或氟；R2和R3分别选择自氢或甲基，或其药用可接受的盐；含有该化合物的药物配方；该化合物在治疗中的使用；用于治疗与糖原合酶激酶-3相关疾病的条件，如阿尔茨海默病，以及治疗上述疾病的方法，包括向需要该治疗的受试者施用该化合物的治疗有效量。

  公开号：

  US20100267723A1

文献信息

• COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
  申请人：CHIESI FARMACEUTICI S.P.A.

  公开号：US20180016267A1

  公开（公告）日：2018-01-18

  Compounds of formula I defined herein act both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists and are useful for the prevention and/or treatment of broncho-obstructive or inflammatory diseases.

  本处定义的I式化合物既作为肌肉收缩受体拮抗剂，又作为β2肾上腺素受体激动剂，可用于预防和/或治疗支气管阻塞或炎症性疾病。
• [EN] 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH<br/>[FR] 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES COMME INHIBITEURS D'IDH MUTANTE
  申请人：NOVARTIS AG

  公开号：WO2014141104A1

  公开（公告）日：2014-09-18

  The invention is directed to a formula (I), or a pharmamceutically acceptable salt thereof, wherein R1, R2a, R2b and R3-R7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  这项发明涉及一种式(I)的配方，或其药用可接受的盐，其中R1、R2a、R2b和R3-R7在此处。该发明还涉及含有式(I)化合物的组合物，以及在抑制具有新型活性的突变IDH蛋白中使用这种化合物的用途。该发明还涉及在治疗与这种突变IDH蛋白相关的疾病或紊乱中使用式(I)化合物，包括但不限于细胞增殖紊乱，如癌症。
• LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS
  申请人：INTERMUNE, INC.

  公开号：US20140200215A1

  公开（公告）日：2014-07-17

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

  提供的是化合物、制造这些化合物的方法、包含这些化合物的药物组合物和药品，以及使用这些化合物来治疗、预防或诊断与一个或多个溶血磷脂酸受体相关的疾病、失调或状况的方法。
• [EN] TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES ET COMPOSITIONS UTILISÉS COMME INHIBITEURS DE KINASES
  申请人：NOVARTIS AG

  公开号：WO2017103824A1

  公开（公告）日：2017-06-22

  The present invention provides compounds of Formula (A): (I) as described herein, and salts thereof, and therapeutic uses of these compounds for treatment of disorders associated with Raf kinase activity. The invention further provides pharmaceutical compositions comprising these compounds, and compositions comprising these compounds and a therapeutic co-agent, and methods of using the compositions and combinations to treat conditions including cancers.

  本发明提供了如下式(A)的化合物：(I)以及所述化合物的盐，以及这些化合物用于治疗与Raf激酶活性相关的疾病的治疗用途。本发明进一步提供了包含这些化合物的药物组合物，以及包含这些化合物和治疗协同剂的组合物，以及使用这些组合物和组合物来治疗包括癌症在内的病症的方法。
• Novel use of phenylheteroakylamine derivatives
  申请人：——

  公开号：US20030158185A1

  公开（公告）日：2003-08-21

  There is disclosed the use of a compound of formula (I) wherein R 1 , R 2 , X, Y, V, W and Z are as defined in the specification, and pharmaceutically acceptable salts, enantiomers or racemates thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of nitric oxide synthase activity is beneficial. Certain novel compounds of formula (Ia) and pharmaceutically acceptable salts thereof, and enantiomers and racemates thereof are disclosed; together with processes for their preparation, compositions containing them and their use in therapy. The compounds of formulae (I) and (Ia) are inhibitors of the enzyme nitric oxide synthase and are thereby particularly useful in the treatment or prophylaxis of inflammatory disease.

  公开了使用式（I）的化合物，其中R1、R2、X、Y、V、W和Z如规范中定义，并且其药学上可接受的盐、对映体或消旋体，在制备药物时用于治疗或预防抑制一氧化氮合酶活性有益的疾病或症状。公开了式（Ia）的某些新化合物及其药学上可接受的盐，以及其对映体和消旋体；以及它们的制备方法、含有它们的组合物以及它们在治疗中的应用。式（I）和（Ia）的化合物是一氧化氮合酶酶的抑制剂，因此在治疗或预防炎症性疾病方面特别有用。