5-溴-2,3-二氟-1-硝基苯 | 1261988-16-2

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 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: 5-溴-2,3-二氟-1-硝基苯
• 中文别名: 5-溴-1,2-二氟-3-硝基苯
• 英文名称: 5-bromo-1,2-difluoro-3-nitrobenzene
• CAS: 1261988-16-2
• 化学式: C₆H₂BrF₂NO₂
• 分子量: 237.988
• InChiKey: OUPFVSYTAGACOT-UHFFFAOYSA-N

物化性质

• 沸点：
  259.0±35.0 °C(Predicted)
• 密度：
  1.890±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 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：
  4

安全信息

• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：室温下，应保持干燥并密封保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-1,2-difluoro-3-nitrobenzene
Synonyms: 5-Bromo-2,3-difluoro-1-nitrobenzene

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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: 5-Bromo-1,2-difluoro-3-nitrobenzene
CAS number: 1261988-16-2

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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: C6H2BrF2NO2
Molecular weight: 238.0

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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 fluoride, 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：

  5-溴-2,3-二氟-1-硝基苯 在 ammonium carbonate 、 三乙胺 作用下， 以85%的产率得到2-氟-4-溴-6-硝基苯胺
  参考文献：
  名称：

  TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

  摘要：

  本文描述了具有磷脂酰肌醇-3激酶（PI3K）调节活性或功能的三环化合物，具有以下结构的Formula I结构：或其立体异构体、互变异构体或药学上可接受的盐，以及所述的取代基和结构特征。还描述了包括Formula I化合物的药物组合物和药物，以及使用这种PI3K调节剂的方法，单独或与其他治疗剂联合治疗依赖于PI3K失调的疾病或病况。

  公开号：

  US20180065983A1
• 作为产物：
  描述：

  2,3-二氟硝基苯 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 三氟乙酸 作用下， 以73 %的产率得到5-溴-2,3-二氟-1-硝基苯
  参考文献：
  名称：

  具有紧密 π-π 堆积的顺磁性液晶：Blatter 自由基平面化对弯曲核心介晶行为的影响

  摘要：

  开发了一种含有 19-π 离域电子的二酚作为具有紧密 π-π 接触的顺磁性柱状和层状液晶的通用中间体，用于电子应用。

  DOI：

  10.1002/chem.202203288

文献信息

• IDO INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160289171A1

  公开（公告）日：2016-10-06

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  已披露的化合物可调节或抑制吲哌酮胺2,3-二氧化酶（IDO）的酶活性，含有该化合物的药物组合物以及利用本发明的化合物治疗增殖性疾病，如癌症、病毒感染和/或炎症性疾病的方法。
• 吲哚类化合物及其制备方法、药物组合物和用途
  申请人：中国医学科学院药物研究所

  公开号：CN110483366B

  公开（公告）日：2022-09-16

  本发明公开了一类吲哚类化合物及其制备方法、药物组合物和用途，具体而言，本发明涉及通式I所示的吲哚类衍生物及其可药用盐，及其制备方法，含有一个或多个该类化合物的组合物，和该类化合物在制备、预防和/或治疗与IDO1和/或TDO相关的疾病药物中的用途。
• [EN] INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING<br/>[FR] INHIBITEURS DE LA LIAISON ENTRE LA PROTÉINE WDR5 ET SES PARTENAIRES DE LIAISON
  申请人：ONTARIO INST FOR CANCER RES (OICR)

  公开号：WO2017147701A1

  公开（公告）日：2017-09-08

  The present application is directed to compounds of Formula I: (I) compositions comprising these compounds and their uses, for example as medicaments for the treatment of diseases, disorders or conditions mediated or treatable by inhibition of binding between WDR5 protein and its binding partners.

  本申请涉及到Formula I的化合物：(I) 包含这些化合物的组合物及其用途，例如作为治疗由于抑制WDR5蛋白与其结合伙伴之间结合而介导或可治疗的疾病、紊乱或状况的药物。
• [EN] ACLY INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'ACLY ET LEURS UTILISATIONS
  申请人：NIMBUS ARTEMIS INC

  公开号：WO2020097408A1

  公开（公告）日：2020-05-14

  The present invention provides compounds useful as inhibitors of ATP citrate lyase (ACLY), compositions thereof, and methods of using the same.

  本发明提供了作为ATP柠檬酸裂合酶（ACLY）抑制剂的化合物、其组合物以及使用方法。
• [EN] IDO INHIBITORS<br/>[FR] INHIBITEURS D'IDO
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015031295A1

  公开（公告）日：2015-03-05

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or autoimmune diseases utilizing the compounds of the invention.

  所公开的化合物能够调节或抑制吲哚胺2,3-双加氧酶（IDO）的酶活性，包含该化合物的药物组合物以及使用本发明的化合物治疗增殖性疾病的方法，如癌症、病毒感染和/或自身免疫疾病。