2,5-二溴异烟酸 | 942473-59-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2,5-二溴异烟酸
• 中文别名: 2,5-二溴-4-羧酸吡啶
• 英文名称: 2,5-dibromoisonicotinic acid
• 英文别名: 2,5-dibromopyridine-4-carboxylic acid
• CAS: 942473-59-8
• 化学式: C₆H₃Br₂NO₂
• 分子量: 280.903
• InChiKey: CLIZDLYBXIPXCR-UHFFFAOYSA-N

物化性质

• 沸点：
  448.0±45.0 °C(Predicted)
• 密度：
  2.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,5-Dibromoisonicotinic acid
Synonyms: 2,5-Dibromopyridine-4-carboxylic acid

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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: 2,5-Dibromoisonicotinic acid
CAS number: 942473-59-8

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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: C6H3Br2NO2
Molecular weight: 280.9

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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, nitrogen oxides, hydrogen bromide.

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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：

  2,5-二溴异烟酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 硫酸 、 水 、 caesium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 44.0h， 生成 5-(2-chlorophenyl)-2-cyclopropylpyridine-4-carboxylic acid
  参考文献：
  名称：

  [EN] HERBICIDAL PYRIDINE COMPOUNDS
  [FR] COMPOSÉS HERBICIDES DE PYRIDINE

  摘要：

  本发明涉及式(I)的吡啶化合物，或其在农业上可接受的盐或衍生物作为除草剂，其中变量根据说明被定义，使用式(I)的吡啶化合物作为除草剂，包含它们的组合物以及它们作为除草剂的使用，即用于控制有害植物，还包括一种控制不受欢迎植被的方法，该方法包括允许至少一种式(I)的吡啶化合物的除草有效量作用于植物、它们的种子和/或它们的栖息地。

  公开号：

  WO2018019758A1
• 作为产物：
  描述：

  2,5-二溴吡啶 、 二氧化碳 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2,5-二溴异烟酸
  参考文献：
  名称：

  SERINE/THREONINE KINASE INHIBITORS

  摘要：

  具有公式I的化合物，其中R2、X和Z如本文所定义，是ERK激酶的抑制剂。还披露了用于治疗过度增殖性疾病的组合物和方法。

  公开号：

  US20140066453A1

文献信息

• [EN] ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES D'ISONICOTINAMIDE DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2010051236A1

  公开（公告）日：2010-05-06

  The present invention is directed to isonicotinamide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及异烟酰胺化合物，这些化合物是促进睡眠的受体拮抗剂，可用于治疗或预防涉及促进睡眠的神经和精神障碍和疾病。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗涉及促进睡眠的这类疾病中使用这些化合物和组合物。
• ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS
  申请人：Bergman Jeffrey M.

  公开号：US20110201591A1

  公开（公告）日：2011-08-18

  The present invention is directed to isonicotinamide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及异烟酰胺化合物，其是促进睡眠的荷尔蒙受体拮抗剂，可用于治疗或预防神经系统和精神疾病，以及涉及荷尔蒙受体的疾病。本发明还涉及包含这些化合物的制药组合物和使用这些化合物和组合物预防或治疗涉及荷尔蒙受体的疾病。
• Isonicotinamide orexin receptor antagonists
  申请人：Bergman Jeffrey M.

  公开号：US08592457B2

  公开（公告）日：2013-11-26

  The present invention is directed to isonicotinamide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及异烟酰胺化合物，其为促进睡眠的荷尔蒙受体拮抗剂，可用于治疗或预防神经系统和精神障碍以及涉及荷尔蒙受体的疾病。本发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及荷尔蒙受体的疾病中的使用。
• Serine/threonine kinase inhibitors
  申请人：Array BioPharma Inc.

  公开号：US09388171B2

  公开（公告）日：2016-07-12

  Compounds having the formula I wherein R2, X and Z as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有公式I的化合物，其中R2，X和Z的定义如此，是ERK激酶的抑制剂。还揭示了用于治疗过度增殖性疾病的组合物和方法。
• SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES
  申请人：Array Biopharma, Inc.

  公开号：EP2888247A1

  公开（公告）日：2015-07-01