4-溴-2-碘-1-(三氟甲基)苯 | 1256945-00-2

• 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: 4-溴-2-碘-1-(三氟甲基)苯
• 中文别名: 2-碘-4-溴三氟甲苯；4-溴-2-碘三氟甲苯
• 英文名称: 4-bromo-2-iodo-1-(trifluoromethyl)benzene
• CAS: 1256945-00-2
• 化学式: C₇H₃BrF₃I
• 分子量: 350.905
• InChiKey: PGFPLTAEOHMUKY-UHFFFAOYSA-N

物化性质

• 沸点：
  264.1±40.0 °C(Predicted)
• 密度：
  2.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2-iodo-1-(trifluoromethyl)benzene
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: 4-Bromo-2-iodo-1-(trifluoromethyl)benzene
CAS number: 1256945-00-2

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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, 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: C7H3BrF3I
Molecular weight: 350.9

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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：

  4-溴-2-碘-1-(三氟甲基)苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四(三苯基膦)钯 、 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 、 甲苯 为溶剂， -30.0~80.0 ℃ 、101.33 kPa 条件下， 反应 154.0h， 生成
  参考文献：
  名称：

  含酸素炭化水素基を含むベンゾビス（チアジアゾール）誘導体、それを含むインク、及びそれを用いた有機エレクトロニクスデバイス

  摘要：

  提供一种具有优异的电子迁移率（电场效应迁移率）和在大气中具有良好稳定性的有机半导体墨水，且不会在室温下产生沉淀物的苯并（噻二唑）衍生物。解决方案是由式（1）所示的苯并衍生物构成。（R1〜R4代表三氟甲基基团、氰基、三氟甲氧基、取代/未取代链中具有醚键结构的C2〜41的烷基，末端带有苯基并在链中具有醚键结构的C1〜40的烷基或C1〜21的烷基；但是，R1〜R4中的至少一个末端带有苯基且链中具有醚键结构的C1〜40的烷基）【选择图】图8

  公开号：

  JP2018168138A
• 作为产物：
  描述：

  5-溴-2-(三氟甲基)苯胺 在 亚硝酸特丁酯 、 三氟化硼乙醚 、 碘 、 potassium iodide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 1.67h， 以68%的产率得到4-溴-2-碘-1-(三氟甲基)苯
  参考文献：
  名称：

  NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF

  摘要：

  该发明涉及新型钙感受受体(CaSR)调节三氟甲基苯基环戊烯化合物，其在式(I)中表示及其衍生物，用作药物的这些化合物，用于治疗的这些化合物，含有这些化合物的药物组合物，使用这些化合物治疗疾病的方法，以及使用这些化合物制造药物。

  公开号：

  US20120129926A1

文献信息

• Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof
  申请人：FRICK Wendelin

  公开号：US20110059910A1

  公开（公告）日：2011-03-10

  The invention relates to substituted aromatic fluoroglycoside derivatives, and to the physiologically compatible salts and physiologically functional derivatives thereof. The invention also relates to methods of lowering blood sugar and the treatment of type I and type II diabetes.

  这项发明涉及取代芳香族氟糖苷衍生物，以及其生理兼容盐和生理功能衍生物。该发明还涉及降低血糖和治疗I型和II型糖尿病的方法。
• 芳基烷基胺化合物、其制备方法及其在医药上的应用
  申请人：上海拓界生物医药科技有限公司

  公开号：CN113121398B

  公开（公告）日：2023-06-20

  本公开涉及芳基烷基胺化合物、其制备方法及其在医药上的应用。特别的本公开的化合物适合作为钙敏感受体激动剂，可用作治疗或预防通过激活CaSR和/或抑制PTH产生而改善病症的药物的有效成分，如式(I)，基团的定义如说明书中所述。
• BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20160276598A1

  公开（公告）日：2016-09-22

  A benzobis(thiadiazole) derivative represented by the following general formula (1): in which R 1 represents a linear or branched alkyl group, or any one of the groups of the following formula (2): in which R represents a linear or branched alkyl group; R 2 represents a hydrogen atom; and R 3 represents a hydrogen atom, a linear or branched alkyl group, or any one of the groups of the formula (2); with the proviso that at least one of R 1 and R 3 represents any one of the groups of the formula (2); and two R 1 groups, two R 2 groups, and two R 3 groups may be the same as, or different from each other.

  以下是通式（1）所代表的苯并噻二唑衍生物： 其中，R1代表线性或支链烷基，或以下式子（2）中的任意一种基团： 其中，R代表线性或支链烷基；R2代表氢原子；R3代表氢原子、线性或支链烷基，或以下式子（2）中的任意一种基团； 但是，至少有一个R1和R3代表以下式子（2）中的任意一种基团； 而且，两个R1基团、两个R2基团和两个R3基团可以相同或不同。
• BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME
  申请人：UBE Industries, Ltd.

  公开号：EP3048107A1

  公开（公告）日：2016-07-27

  The present invention relates to a benzobis(thiadiazole) derivative represented by the following general formula (1): wherein R1 represents a linear or branched alkyl group, or any one of the groups of the following formula (2): wherein R represents a linear or branched alkyl group; R2 represents a hydrogen atom; and R3 represents a hydrogen atom, a linear or branched alkyl group, or any one of the groups of the formula (2); with the proviso that at least one of R1 and R3 represents any one of the groups of the formula (2); and two R1 groups, two R2 groups, and two R3 groups may be the same as, or different from each other.

  本发明涉及一种由以下通式（1）表示的苯并双(噻二唑)衍生物： 其中 R1 代表直链或支链烷基，或下式（2）中的任一基团： 其中 R 代表直链或支链烷基； R2 代表氢原子 R3 代表氢原子、直链或支链烷基或下式（2）中的任一基团； 但条件是 R1 和 R3 中至少有一个代表式（2）中的任一基团；及 两个 R1 基团、两个 R2 基团和两个 R3 基团可以相同，也可以不同。
• US8785494B2
  申请人：——

  公开号：US8785494B2

  公开（公告）日：2014-07-22