1-溴-2-氟-4-碘-5-硝基苯 | 1226808-77-0

• 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: 1-溴-2-氟-4-碘-5-硝基苯
• 英文名称: 1-bromo-2-fluoro-4-iodo-5-nitrobenzene
• CAS: 1226808-77-0
• 化学式: C₆H₂BrFINO₂
• 分子量: 345.894
• InChiKey: BNZPOZOFBGRDLL-UHFFFAOYSA-N

物化性质

• 沸点：
  315.6±42.0 °C(Predicted)
• 密度：
  2.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 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：
  3

安全信息

• 海关编码：
  2904909090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-2-fluoro-4-iodo-5-nitrobenzene
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: 1-Bromo-2-fluoro-4-iodo-5-nitrobenzene
CAS number: 1226808-77-0

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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: C6H2BrFINO2
Molecular weight: 345.9

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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 fluoride, hydrogen bromide, hy-
drogen 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：

  1-溴-2-氟-4-碘-5-硝基苯 在 3-甲基吡啶-2-甲酰胺 、 铜 、 sodium carbonate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 14.0h， 生成 1-(4-bromo-5-(2,4-difluorophenoxy)-2-nitrophenyl)-1H-pyrazole
  参考文献：
  名称：

  吡啶类N-氧化衍生物及其制备方法和应用

  摘要：

  本发明涉及吡啶类N‑氧化衍生物及其制备方法和应用。特别地，本发明涉及通式(I)所示的化合物、其制备方法及含有该化合物的药物组合物，及其作为BRD4抑制剂在治疗癌症、炎症、慢性肝病、糖尿病、心血管疾病和AIDS等相关疾病的用途，其中通式(I)中的各取代基与说明书中的定义相同。

  公开号：

  CN110041253B
• 作为产物：
  描述：

  4-溴-5-氟-2-硝基苯甲胺 在 硫酸 、 溶剂黄146 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 反应 4.0h， 以53.35%的产率得到1-溴-2-氟-4-碘-5-硝基苯
  参考文献：
  名称：

  用于高效钙钛矿太阳能电池的吲哚[3,2-b]吲哚基晶体空穴传输材料†

  摘要：

  我们设计并合成了氟化吲哚并[3,2- b ]吲哚（IDID）衍生物作为钙钛矿太阳能电池的晶体空穴传输材料（HTM）。氟化 IDID 主链通过强 π-π 相互作用实现紧密的分子排列，从而比当前 HTM 标准p , p -spiro-OMeTAD 具有更高的空穴迁移率，具有球形和无定形形态。此外，与p , p -spiro-OMeTAD相比，钙钛矿/HTM薄膜中的光致发光猝灭在钙钛矿与IDIDF的界面处更有效。因此，与使用p , p -spiro-OMeTAD 制造的器件相比，使用IIDDF制造的器件表现出更优异的光伏特性，表现出 19% 的最佳性能。因此，这一显着的结果表明 IDID 核基材料是一种新型 HTM，适用于高效钙钛矿太阳能电池。

  DOI：

  10.1039/c6sc02832b

文献信息

• [EN] PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS<br/>[FR] ACIDES PHÉNYLSULFAMOYLBENZOÏQUES EN TANT QUE MODULATEURS D'ERAP1
  申请人：GREY WOLF THERAPEUTICS LTD

  公开号：WO2020225569A1

  公开（公告）日：2020-11-12

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or hydrate thereof, wherein: the group X-Y is -NHSO2- or -SO2NH-; Z is a monocyclic aryl or heteroaryl group, each of which is optionally substituted by one ormore substituents selected from alkyl, cycloalkyl, halo, alkoxy, CN, haloalkyl and OH; R1 is H or alkyl; R2 is selected from COOH and a tetrazolyl group; R3 is selected from H, C land alkyl; R4 is selected from H and halo; R5 is selected from H, alkyl, haloalkyl, SO2-alkyl,Cl, alkoxy, OH, CN, hydroxyalkyl, alkylthio, heteroaryl, cycloalkyl, heterocycloalkyl andhaloalkoxy; R6 is H; R7 is selected from H, CN, haloalkyl, halo, SO2-alkyl,SO2NR12R13, heteroaryl, CONR10R11 and alkyl, wherein said heteroaryl group is optionallysubstituted by one or more substituents selected from alkyl, halo, alkoxy, CN, haloalkyl and OH; R8 is selected from H, alkyl, haloalkyl and halo; and R9 is H, alkyl or halo; R10 and R11 are each independently H or alkyl; and R12 and R13 are each independently H or alkyl. Further aspects of the invention relate to such compounds for use in the field of immuno- oncology and related applications. Another aspect of the invention relates to compounds of formulae (la) and (lb).

  本发明涉及一种具有式(I)的化合物，或其药学上可接受的盐或水合物，其中：基团X-Y为-NHSO2-或-SO2NH-；Z为单环芳基或杂环芳基，每个基团可选择地由一种或多种从烷基、环烷基、卤素、烷氧基、CN、卤代烷基和羟基中选择的取代基取代；R1为H或烷基；R2从COOH和四唑基团中选择；R3从H、C和烷基中选择；R4从H和卤素中选择；R5从H、烷基、卤代烷基、SO2-烷基、Cl、烷氧基、OH、CN、羟基烷基、烷基硫、杂环芳基、环烷基、杂环烷基和卤代烷氧基中选择；R6为H；R7从H、CN、卤代烷基、卤素、SO2-烷基、SO2NR12R13、杂环芳基、CONR10R11和烷基中选择，其中所述的杂环芳基可选择地由一种或多种从烷基、卤素、烷氧基、CN、卤代烷基和羟基中选择的取代基取代；R8从H、烷基、卤代烷基和卤素中选择；R9为H、烷基或卤素；R10和R11各自独立地为H或烷基；R12和R13各自独立地为H或烷基。本发明的进一步方面涉及这些化合物在免疫肿瘤学领域及相关应用中的用途。本发明的另一个方面涉及式(la)和(lb)的化合物。
• 四氢喹啉类N-氧化衍生物及其制备方法和应 用
  申请人：上海翰森生物医药科技有限公司

  公开号：CN109836385B

  公开（公告）日：2021-12-17

  本发明涉及四氢喹啉类N‑氧化衍生物及其制备方法和应用。具体地，涉及通式(I)所示的化合物、其制备方法及含有该化合物的药物组合物，及其作为BRD4抑制剂在治疗癌症、炎症、慢性肝病、糖尿病、心血管疾病和AIDS等相关疾病的用途。
• [EN] STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES<br/>[FR] INHIBITEURS STK4 POUR LE TRAITEMENT DE MALIGNITÉS HÉMATOLOGIQUES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016161145A1

  公开（公告）日：2016-10-06

  The application relates to compounds of Formula (I'): which modulate the activity of a kinase (e.g., STK4), a pharmaceutical composition comprising the compound, and a method of treating or preventing a disease or disorder associated with the modulation of a kinase, such as STK4.

  该申请涉及公式（I'）的化合物，该化合物调节激酶（例如STK4）的活性，包括该化合物的药物组合物，以及治疗或预防与激酶调节相关的疾病或紊乱的方法，如STK4。
• 상판을 가지는 욕조
  申请人：UINCHCHEMICAL Co., Ltd 우인화학 주식회사(119980029217) Corp. No ▼ 134711-0001589BRN ▼312-81-10434

  公开号：KR20170001093U

  公开（公告）日：2017-03-23

  본 고안은 생산 비용의 증가를 최소화면서 건축 현장에서 효과적으로 설치될 수 있고, 운반성이 용이하며, 상판으로 욕조와 벽체 사이의 간격을 제거하여 욕조와 벽체 사이의 하자 발생을 감소시키고, 최소 비용으로 다양한 색상, 디자인 및 재질을 느낄 수 있게 하는 상판을 가지는 욕조를 제공하는 것이다. 본 고안의 일 실시예에 따른 상판을 가지는 욕조는, 사용자와 물을 수용하는 공간을 형성하며 상부에 개구를 1차로 설정하는 플랜지를 구비하는 바디, 및 하측에 구비되는 결합홈으로 상기 플랜지에 결합되어 개구를 2차로 설정하는 상판을 포함하며, 상기 상판은 상기 바디의 제1방향(폭 방향) 양측에서 교차하는 상기 바디의 제2방향(길이 방향)으로 배치되는 1쌍의 장변 부재, 및 상기 제2방향의 양측에서 상기 제1방향으로 배치되어 상기 1쌍의 장변 부재에 연결되는 제1단변 부재와 제2단변 부재를 포함한다.

  本发明提供一种具有顶板的浴缸，该浴缸可以在建筑工地上有效安装，运输方便，通过顶板消除浴缸和墙体之间的间隙，减少缺陷的发生，并以最小的成本提供多种颜色，设计和材料。根据本发明的实施例，具有顶板的浴缸包括一个具有第一级法兰的身体，该身体形成用于容纳用户和水的空间，并在其顶部设置开口，以及配有连接槽的下部，该连接槽连接到该第一级法兰并设置第二级开口，该顶板包括一对短侧材料，其在该身体的第二方向（长度方向）上交叉排列于该身体的第一方向（宽度方向）的两侧，并包括连接到该一对短侧材料并在该身体的第二方向的两侧向该身体的第一方向连接的第一长侧材料和第二长侧材料。
• 유기 반도체 물질 및 이를 포함하는 유기 반도체 소자
  申请人：Seoul National University R&DB Foundation 서울대학교산학협력단(120070509242) Corp. No ▼ 114371-0009224BRN ▼119-82-03684

  公开号：KR20170059925A

  公开（公告）日：2017-05-31

  본 발명은 유기 반도체로 사용될 수 있는 새로운 유기분자의 개발에 관한 것으로, 할로겐 원소를 포함한 인돌로인돌(3,8-halogenated-indolo[3,2-b]indole)의 합성과 이를 기반으로 하는 새로운 유기 반도체 물질에 관한 것이다. 본 발명의 일 실시예에 따른 화합물은, 유기 반도체 물질로서 사용되는 하기 화학식 1의 구조를 갖는 화합물이다. [화학식 1] 여기서, R은 알킬(alkyl)기이고, X는 플르오르(F) 또는 염소(Cl)이고, Y는 알킬(alkyl)기이다.

  本发明涉及开发可用作有机半导体的新有机分子，包括卤素元素的吲哚吲哚（3,8-卤代吲哚[3,2-b]吲哚）的合成和基于此的新有机半导体材料。根据本发明的一个实施例，化合物是具有以下化学式1结构的化合物，可用作有机半导体材料。[化学式1] 在此，R是烷基，X是氟（F）或氯（Cl），Y是烷基。