2-溴-1-氟-3-羟基-4-硝基苯 | 103979-08-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-溴-1-氟-3-羟基-4-硝基苯
• 英文名称: 2-bromo-3-fluoro-6-nitrophenol
• 英文别名: 3-bromo-4-fluoro-2-hydroxy-1-nitrobenzene
• CAS: 103979-08-4
• 化学式: C₆H₃BrFNO₃
• 分子量: 235.997
• InChiKey: AVUSAMCYDUMVNY-UHFFFAOYSA-N

物化性质

• 沸点：
  234.7±35.0 °C(Predicted)
• 密度：
  1.965±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：
  66
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2908999090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P261,P264,P270,P272,P273,P280,P301+P312+P330,P302+P352,P305+P351+P338+P310,P333+P313,P391,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H315,H317,H318,H410
• 储存条件：
  室温下保存于惰性气体中

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene
Synonyms: 2-Bromo-3-fluoro-6-nitrophenol

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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-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene
CAS number: 103979-08-4

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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: C6H3BrFNO3
Molecular weight: 236

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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：

  2-溴-1-氟-3-羟基-4-硝基苯 在 甲醇 、 selenium(IV) oxide 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium tetrahydroborate 、 氢气 、 potassium carbonate 、 sodium iodide 作用下， 以 1,4-二氧六环 、 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 、 水 、 丙酮 、 甲苯 为溶剂， 20.0~150.0 ℃ 、344.75 kPa 条件下， 反应 8.0h， 生成 9-fluoro-7-(hydroxymethyl)-10-(4-hydroxyphenyl)-3-methyl-2H-[1,4]oxazino[2,3,4-ij]quinolin-5(3H)-one
  参考文献：
  名称：

  EP2987787

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴-1,3-二氟-4-硝基-苯 在 氢氧化钾 作用下， 以 水 、 二甲基亚砜 为溶剂， 以93%的产率得到2-溴-1-氟-3-羟基-4-硝基苯
  参考文献：
  名称：

  Antibiotic derivatives of

  摘要：

  具有抗菌活性的1-取代-6-氟-7-芳基-(8-氟)-1,4-二氢喹啉-4-酮3-羧酸是通过将相应的烷基1-取代-6-氟-7-溴-(8-氟)-1,4-二氢喹啉-4-酮-3-羧酸酯与芳基金属化合物反应，并水解形成的酯来制备的。

  公开号：

  US04623650A1

文献信息

• NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY
  申请人：JUNTENDO EDUCATIONAL FOUNDATION

  公开号：US20160257651A1

  公开（公告）日：2016-09-08

  A compound represented by the general formula (I) or a salt thereof having a potent antibacterial activity against bacteria that have acquired resistance to quinolones, and a medicament for prophylactic and/or therapeutic treatment of an infectious disease containing the compound or a salt thereof as an active ingredient, as well as a medicament for prophylactic and/or therapeutic treatment of an infectious disease containing a combination of the compound or a salt thereof, and a quinolone.

  一种由通式（I）表示的化合物或其盐，具有对已获得对喹诺酮抗性的细菌具有强效的抗菌活性，以及一种用该化合物或其盐作为活性成分的预防和/或治疗感染性疾病的药物，以及一种包含该化合物或其盐与喹诺酮的组合物作为活性成分的预防和/或治疗感染性疾病的药物。
• [EN] BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS<br/>[FR] LIANTS DE CÉRÉBLON DE GLUTARIMIDE À SUBSTITUTION BICYCLIQUE
  申请人：C4 THERAPEUTICS INC

  公开号：WO2023239750A1

  公开（公告）日：2023-12-14

  This invention provides Degron compounds which bind to cereblon which is a component of the E3 ubiquitin ligase. The Degrons provided herein can be used to modulate the activity of cereblon either alone or as covalently linked to a Tail. Alternatively, the Degron can be linked to a Targeting Ligand which binds to a Target Protein for protein degradation.

  本发明提供与脑龙结合的 Degron 化合物，脑龙是 E3 泛素连接酶的一个组成部分。本发明提供的 Degron 可单独用于调节大脑龙的活性，也可与尾部共价连接。另外，Degron 还可以与靶向配体连接，靶向配体可与靶蛋白结合进行蛋白降解。
• Substituted dihydroquinolone carboxylic acids, anti-bacterial compositions containing them
  申请人：PFIZER INC.

  公开号：EP0184384A1

  公开（公告）日：1986-06-11

  1-Substituted-6-fluoro-7-aryl-(8-fluoro)-1,4-dihydro- quinol-4-one 3-carboxylic acids having antibacterial activity. They may be prepared by reacting the corresponding alkyl 1-substituted-6-fluoro-7-bromo-(8-fluoro)-1,4-dihydroquinol-4-one-3-carboxylate with an arylmetallic compound and hydrolyzing the ester formed.

  具有抗菌活性的 1-取代-6-氟-7-芳基-(8-氟)-1,4-二氢-喹啉-4-酮-3-羧酸，可通过使相应的 1-取代-6-氟-7-溴-(8-氟)-1,4-二氢-喹啉-4-酮-3-羧酸烷基酯与芳基金属化合物反应并水解所形成的酯来制备。
• [EN] EGFR INHIBITOR AND APPLICATION THEREOF<br/>[FR] INHIBITEUR D'EGFR ET SON UTILISATION<br/>[ZH] EGFR抑制剂及其应用
  申请人：JIANGSU SIMCERE PHARM CO LTD

  公开号：WO2020216371A1

  公开（公告）日：2020-10-29

  本发明涉及作为第四代(T790M/C797S突变)EGFR激酶抑制剂及其医药用途，具体公开了式(I)所示化合物或其药学上可接受的盐。本发明化合物在EGFR Del19/T790M/C797S和L858R/T790M/C797S异常突变引起的疾病上有着较好的疗效。
• 酰胺类化合物、其制备方法及其应用
  申请人：深圳微芯生物科技股份有限公司

  公开号：CN116217548A

  公开（公告）日：2023-06-06

  本发明涉及一种式(I)所示所示酰胺类化合物、其制备方法及其应用。本发明还涉及包含所述化合物作为活性成分的药物组合物以及所述化合物或药物组合物用于治疗和/或预防由TYK2介导的相关疾病的用途。