3-氟-5-甲酰基苯硼酸 | 328956-60-1

• 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: 3-氟-5-甲酰基苯硼酸
• 英文名称: 3-fluoro-5-formylphenylboronic acid
• 英文别名: (3-fluoro-5-formylphenyl)boronic acid
• CAS: 328956-60-1
• 化学式: C₇H₆BFO₃
• 分子量: 167.932
• InChiKey: LAQDUOXSWHKHBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.68
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  3261
• 危险性描述：
  H314

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Fluoro-5-formylphenylboronic acid
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: 3-Fluoro-5-formylphenylboronic acid
CAS number: 328956-60-1

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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, refrigerated.
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: C7H6BFO3
Molecular weight: 167.9

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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, 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：

  3-氟-5-甲酰基苯硼酸 在 N-碘代丁二酰亚胺 、 四(三苯基膦)钯 、 二乙胺基三氟化硫 、 硫酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 9.0h， 生成 3'-(difluoromethyl)-2,5'-difluoro-4-iodo-5-methoxy-1,1'-biphenyl
  参考文献：
  名称：

  Bicyclic sulfonamide compounds as sodium channel inhibitors

  摘要：

  本发明提供了式I的化合物及其药学上可接受的盐，这些化合物是钠通道的抑制剂，特别是Nav1.7。这些化合物对于治疗与钠通道活性相关的疾病，如疼痛障碍和瘙痒，是有用的。还提供了含有本发明化合物的药物组合物。

  公开号：

  US09212182B2

文献信息

• AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES
  申请人：Genentech, Inc

  公开号：US20130324516A1

  公开（公告）日：2013-12-05

  The invention provides novel compounds having the general formula: wherein A, R 1 , R 2 and R 3 are as defined herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有以下一般式的新化合物： 其中A，R1，R2和R3如本文所定义，包括这些化合物的组合物和使用这些化合物的方法。
• SOMATOSTATIN MODULATORS AND USES THEREOF
  申请人：Crinetics Pharmaceuticals, Inc.

  公开号：US20180016252A1

  公开（公告）日：2018-01-18

  Described herein are compounds that are somatostatin modulators, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders that would benefit from modulation of somatostatin activity.

  本文描述了一些肽类调节剂化合物，制备这类化合物的方法，包含这类化合物的药物组合物和药物，以及利用这类化合物治疗需要调节生长抑素活性的疾病、症状或疾病的方法。
• [EN] ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS<br/>[FR] DÉRIVÉS D'ISOCHROMÈNE UTILISÉS EN TANT QU'INHIBITEURS DE PHOSPHOINOSITIDE 3-KINASES
  申请人：CHIESI FARM SPA

  公开号：WO2020200918A1

  公开（公告）日：2020-10-08

  The invention relates to compounds of formula (I) inhibiting phosphoinositide 3-kinases (PI3K), to pharmaceutical compositions comprising them and therapeutic use thereof in the treatment of disorders associated with PI3K enzymes.

  该发明涉及一种化合物，其化学式为(I)，抑制磷脂酰肌醇3-激酶（PI3K），以及包含它们的药物组合物和在治疗与PI3K酶相关的疾病中的治疗用途。
• BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140371201A1

  公开（公告）日：2014-12-18

  The present invention provides compounds of Formula I, and pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases associated with the activity of sodium channels such as pain disorders and itch. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了I式化合物及其药学上可接受的盐，该化合物是电压门控钠通道的抑制剂，尤其是Nav1.7。该化合物可用于治疗与钠通道活性相关的疾病，如疼痛障碍和瘙痒。还提供了含有本发明化合物的制药组合物。
• Aminoquinazoline and pyridopyrimidine derivatives
  申请人：Genentech, Inc.

  公开号：US09382241B2

  公开（公告）日：2016-07-05

  The invention provides novel compounds having the general formula: wherein A, R1, R2 and R3 are as defined herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有以下一般式的新化合物：其中A，R1，R2和R3的定义如本文所述，包括该化合物的组合物和使用该化合物的方法。