3-溴-4-碘苯胺 | 860435-38-7

• 物质功能分类: 有机原料 - 氨基化合物
• 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: 3-溴-4-碘苯胺
• 英文名称: 3-bromo-4-iodoaniline
• CAS: 860435-38-7
• 化学式: C₆H₅BrIN
• mdl: MFCD09753717
• 分子量: 297.921
• InChiKey: HBCBLDVYTZWYLL-UHFFFAOYSA-N

物化性质

• 熔点：
  198 °C
• 沸点：
  323.7±27.0 °C(Predicted)
• 密度：
  2.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 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：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921420090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-4-iodoaniline
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: 3-Bromo-4-iodoaniline
CAS number: 860435-38-7

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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: C6H5BrIN
Molecular weight: 297.9

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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, 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：

  3-溴-4-碘苯胺 在 盐酸 、 四(三苯基膦)钯 、 硫酸 、 cesium fluoride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 25.33h， 生成
  参考文献：
  名称：

  高荧光固态不对称螺硅杂芴衍生物

  摘要：

  一系列四种不对称芳基取代的 9,9'-spiro-9-silabifluorene (SSF) 衍生物，2,2'-di-tert-butyl-7,7'-diphenyl-9,9'-spiro-9- silabifluorene (PhSSF), 2,2'-di-tert-butyl-7,7'-dipyridin-2-yl-9,9'-spiro-9-silabifluorene (PySSF), 2,2'-di-tert-丁基-7,7'-dibiphenyl-4-yl-9,9'-spiro-9-silabifluorene (BPhSSF), 和 2,2'-di-tert-butyl-7,7'-bis(2',2 ' '-bipyridin-6-yl)-9,9'-spiro-9-silabifluorene (BPySSF) 是通过相应的 2,2'-二硫代联苯与四氯化硅环化制备的。这些新型螺连接

  DOI：

  10.1021/ja042762q
• 作为产物：
  描述：

  间溴苯胺 在 N,N,N-trimethylbenzenemethanaminium dichloroiodate 、 calcium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以96%的产率得到3-溴-4-碘苯胺
  参考文献：
  名称：

  高荧光固态不对称螺硅杂芴衍生物

  摘要：

  一系列四种不对称芳基取代的 9,9'-spiro-9-silabifluorene (SSF) 衍生物，2,2'-di-tert-butyl-7,7'-diphenyl-9,9'-spiro-9- silabifluorene (PhSSF), 2,2'-di-tert-butyl-7,7'-dipyridin-2-yl-9,9'-spiro-9-silabifluorene (PySSF), 2,2'-di-tert-丁基-7,7'-dibiphenyl-4-yl-9,9'-spiro-9-silabifluorene (BPhSSF), 和 2,2'-di-tert-butyl-7,7'-bis(2',2 ' '-bipyridin-6-yl)-9,9'-spiro-9-silabifluorene (BPySSF) 是通过相应的 2,2'-二硫代联苯与四氯化硅环化制备的。这些新型螺连接

  DOI：

  10.1021/ja042762q

文献信息

• Mild and efficient direct aromatic iodination
  作者：Richard Johnsson、Andréas Meijer、Ulf Ellervik

  DOI：10.1016/j.tet.2005.09.051

  日期：2005.12

  transformed into tritium labelled compounds by metal-mediated hydrodehalogenation and also react in a number of important synthetic transformations. We present ICl/In(OTf)3 as a new reagent combination for mild iodination, suitable for acid-sensitive substrates such as carbohydrates.

  芳基碘化物是重要的合成中间体，可以通过金属介导的加氢脱卤作用转化为transformed标记的化合物，并且还可以进行许多重要的合成转化反应。我们提出ICl / In（OTf）3作为用于轻度碘化的新试剂组合，适用于对酸敏感的底物，例如碳水化合物。
• Rhodium-Catalyzed Synthesis and Optical Properties of Silicon-Bridged Arylpyridines
  作者：Ryo Shintani、Nana Misawa、Ryo Takano、Kyoko Nozaki

  DOI：10.1002/chem.201605000

  日期：2017.2.21

  on the benzene ring, as well as through the protonation or alkylation of the nitrogen atom on the pyridine ring. A catalytic asymmetric synthesis of silicon‐centered axially chiral spirocyclic derivatives has also been achieved with high enantioselectivity by using a newly modified MeO‐MOP (MeO‐MOP=2‐(diphenylphosphino)‐2′‐methoxy‐1,1′‐binaphthyl) derivative as the chiral ligand. These spirocyclic compounds

  通过含硅的二炔与腈的铑催化的[2 + 2 + 2]环加成反应，已开发了桥连的4-芳基吡啶的会聚和区域选择性合成方法。已经检查了这些化合物的吸收和发射性质，可以通过改变苯环上的取代基以及通过吡啶环上氮原子的质子化或烷基化来对其进行调节。通过使用新改性的MeO-MOP（MeO-MOP = 2-（二苯基膦基）-2'-甲氧基-1,1'-联萘基），还以高对映选择性实现了以硅为中心的轴向手性螺环衍生物的催化不对称合成。衍生物作为手性配体。发现这些螺环化合物具有CPL活性（CPL =圆偏振发光），
• [EN] GUANIDINE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE GUANIDINE ET LEUR UTILISATION
  申请人：IMMUNOMET THERAPEUTICS INC

  公开号：WO2016175357A1

  公开（公告）日：2016-11-03

  The present invention relates to guanidine compounds for inhibiting mitochondrial oxidative phosphorylation (OXPHOS) and use thereof. More specifically, the present invention relates to a pharmaceutical composition for preventing or treating a OXPHOS-related disease, particularly cancer by inhibiting mitochondrial oxidative phosphorylation and reprogramming cellular metabolism.

  本发明涉及用于抑制线粒体氧化磷酸化（OXPHOS）的胍啉化合物及其使用。更具体地说，本发明涉及一种用于预防或治疗与OXPHOS相关的疾病，特别是通过抑制线粒体氧化磷酸化和重编程细胞代谢的药物组合物。
• [EN] SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS POLYCYCLIQUES SUBSTITUÉS
  申请人：PTC THERAPEUTICS INC

  公开号：WO2016025932A1

  公开（公告）日：2016-02-18

  The present description relates to substituted polycyclic compounds of Formula (I), Formula (II) or Formula (III): wherein the dashed line represents an optional double bond and Rl, R2, R4, R5, R7, X and Z are as defined herein, and forms and compositions thereof, and also relates to uses of a compound of Formula (I), Formula (II) or Formula (III) or a form thereof and methods for treating or ameliorating Neisseria gonorrhoeae (N. gonorrhoeae) in a subject in need thereof comprising, administering an effective amount of the compound to the subject.

  本描述涉及公式（I）、公式（II）或公式（III）的取代多环化合物：其中虚线代表可选的双键，R1、R2、R4、R5、R7、X和Z的定义如本文所述，以及其形式和组成物，并且涉及使用公式（I）、公式（II）或公式（III）的化合物或其形式以及治疗或缓解需治疗淋病双球菌（N. gonorrhoeae）的患者的方法，包括向患者施用化合物的有效量。
• [EN] HETEROARYL COMPOUNDS AS INHIBITORS OF RIP2 KINASE, COMPOSITION AND APPLICATION THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLE UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE RIP2, COMPOSITION ET APPLICATION DE CEUX-CI
  申请人：ZHANG XIAOHU

  公开号：WO2022192760A1

  公开（公告）日：2022-09-15

  The present disclosure provides heterocycle compounds with RIP2 kinase inhibitory activity, pharmaceutical compositions comprising the same, methods using the same and applications thereof. The present disclosure provides compounds of Formula (I), as inhibitors of RIP2 kinase. These compounds can be used for preventing and/or treating RIP2 kinase-related diseases and/or conditions.

  本公开提供具有RIP2激酶抑制活性的杂环化合物，包括这些化合物的药物组成物，使用这些化合物的方法以及其应用。本公开提供式（I）的化合物，作为RIP2激酶的抑制剂。这些化合物可用于预防和/或治疗与RIP2激酶相关的疾病和/或病况。