2-溴-1-氟-4-碘苯 | 811842-30-5

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 2-溴-1-氟-4-碘苯
• 中文别名: 2-溴-4-碘氟苯；1-氟-2-溴-4-碘苯；3-溴-4-氟碘苯
• 英文名称: 2-bromo-1-fluoro-4-iodobenzene
• 英文别名: 2-bromo-4-iodo-1-fluorobenzene
• CAS: 811842-30-5
• 化学式: C₆H₃BrFI
• 分子量: 300.897
• InChiKey: LHRMBQARSBULRX-UHFFFAOYSA-N

物化性质

• 沸点：
  243℃
• 密度：
  2.281
• 闪点：
  101℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  9
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H227,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-1-fluoro-4-iodobenzene
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: 2-Bromo-1-fluoro-4-iodobenzene
CAS number: 811842-30-5

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H3BrFI
Molecular weight: 300.9

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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, hydrogen bromide, hydrogen Iodide.

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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-4-碘苯 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 41.0h， 生成 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one
  参考文献：
  名称：

  [EN] PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER
  [FR] DÉRIVÉS DE PHTALAZINE UTILES EN TANT QU'INHIBITEURS DE PARP1, PARP2 ET/OU DE TUBULINE DANS LE TRAITEMENT DU CANCER

  摘要：

  该应用涉及公式（I）的邻苯二氮杂环衍生物，它们是PARP1、PARP2和/或微管的抑制剂，因此对于癌症的治疗是有用的。还披露了含有这些化合物的药物配方，以及这些化合物与至少一种额外治疗剂的组合。

  公开号：

  WO2017223516A1
• 作为产物：
  描述：

  3-溴-4-氟苯胺 在 盐酸 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 反应 1.0h， 以74%的产率得到2-溴-1-氟-4-碘苯
  参考文献：
  名称：

  [EN] PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS
  [FR] DERIVES DE PYRIDYLE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RECEPTEUR DE MGLU5

  摘要：

  本发明涉及公式（I）的吡啶衍生物作为mGlu5受体拮抗剂。因此，这些化合物可能对通过拮抗mGlu5受体而得到缓解的疾病的治疗或预防有用，其中Ar是苯基或萘基，每种基可能被一个或多个C1-C4烷基，C1-C4烷氧基，C1-C5酰基，卤素，氨基，硝基，氰基，羟基，C1-C5酰胺基，C1-C4烷基磺酰胺基，单-，二-或三氟代的C1-C3烷基，取代基可能相同也可能不同，并且可能带有CONH2，CONHCH3，CON(CH3)2，CO2H，CO2CH3，OCF3，CH2NHCOCH3，CH2NH2，CH2N(CH3)2，CH2CN，CH2OH，CH2NHSO2CH3，CH2N(CH3)(CH2)2CN，CH2N(CH3)CH(CH3)2，CH2NHCH(CH3)2，CH2NH(CH2)2CH3，CH2NHCO2R4，CH2NHCH2CH3，CH2NHCH3 NHCOC(CH3)2或N(S(O)2CH3)2取代基；R1是氢，卤素，R4，CN，C(NOH)R3，C(NO-R4)R3，(CH)2CO2R4，(CH2)nOR3，COR3，CF3，SR4，S(O)R4，S(O)2R4，COCH2CO2R3，NHSO2R4，NHCOR3，C(NOR3)NH2，CH2OCOR3，(CH2)nNH2，CON(CH3)2(CH2)nNHCO2R4，CO2R3，CONH2，CSNH2，C(NH)NHOR3，(CH2)nN(CH3)2或CONHNHCOR3；R2是1,2-乙烯二基或1,2-乙炔二基；R3是氢或C1-C4烷基；R4是C1-C4烷基；n为0,1,2,3或4；或其药学上可接受的盐，或其N-氧化物。

  公开号：

  WO2005094822A1

文献信息

• 新規なトリアジン化合物、それを用いた有機電子素子及び植物栽培用照明
  申请人：国立大学法人山形大学

  公开号：JP2018090561A

  公开（公告）日：2018-06-14

  【課題】三重項のエネルギーレベルが高く耐熱性に優れ、有機電子素子材料として用いたときに、素子の高効率化、低電圧化、長寿命化を実現できるトリアジン化合物の提供。【解決手段】下記一般式〔１〕で示される、トリアジン骨格部分とジベンゾフラン又はジベンゾチオフェン骨格部分がビフェニル骨格部分を介して連結されたトリアジン化合物。なお、Ｘは酸素原子又は硫黄原子である。【選択図】なし

  三重态能级较高，耐热性优异，在作为有机电子元件材料时，提供能实现元件高效化、低电压化、长寿命化的三嗪化合物。具体结构如下一般式〔１〕所示，其中三嗪骨架部分与二苯并呋喃或二苯并噻吩骨架部分通过联结苯骨架部分而成的三嗪化合物。其中，Ｘ为氧原子或硫原子。【选择图】无
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINES KINASES
  申请人：PHARMASCIENCE INC

  公开号：WO2015077866A1

  公开（公告）日：2015-06-04

  The present invention relates to a novel family of protein kinase inhibitors, more specifically the present invention is directed to inhibitors of the members of the Tec or Src protein kinase families. The present invention also relates to processes for the preparation of these compounds, to the pharmaceutical composition comprising them, and to their use in the treatment of proliferative, inflammatory, infectious or autoimmune diseases, disorder or condition in which protein kinase activity is implicated. More particularly, the present invention relates to a compound of Formula I.

  本发明涉及一种新型蛋白激酶抑制剂家族，更具体地说，本发明是针对Tec或Src蛋白激酶家族成员的抑制剂。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗蛋白激酶活性参与的增殖性、炎症性、感染性或自身免疫疾病、紊乱或病症中的用途。更具体地说，本发明涉及一种I式化合物。
• SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS
  申请人：Scott Ian L.

  公开号：US20100093865A1

  公开（公告）日：2010-04-15

  Provided are sulphur-linked compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  提供的是硫连接化合物、其药物组合物以及使用所述化合物和组合物治疗眼科疾病和障碍的方法，例如年龄相关的黄斑变性和斯达加特病。
• AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS
  申请人：Acucela, Inc.

  公开号：US20160193181A1

  公开（公告）日：2016-07-07

  Provided are amine derivative compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  提供的是胺衍生物化合物、其药物组合物，以及使用所述化合物和组合物治疗眼科疾病和障碍的方法，例如年龄相关的黄斑变性和斯达格特病。
• [EN] PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] MACROCYCLES DE PYRAZOLOPYRIMIDINE UTILES EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015126376A1

  公开（公告）日：2015-08-27

  The disclosure generally relates to compounds of formula I, including compositions and methods for treating human immunodeficiency virus (HIV) infection. The disclosure provides novel inhibitors of HIV, pharmaceutical compositions containing such compounds, and methods for using these compounds in the treatment of HIV infection.

  该披露通常涉及到I式化合物，包括用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法。该披露提供了HIV的新型抑制剂，含有这些化合物的药物组合物，以及在治疗HIV感染中使用这些化合物的方法。