4-氨基-3,5-二溴苯甲酸 | 4123-72-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 4-氨基-3,5-二溴苯甲酸
• 中文别名: 4-氨基-3,5-溴苯甲酸
• 英文名称: 4-amino-3,5-dibromobenzoic acid
• 英文别名: 4-Amino-3,5-dibrom-benzoesaeure
• CAS: 4123-72-2
• 化学式: C₇H₅Br₂NO₂
• mdl: MFCD00075845
• 分子量: 294.93
• InChiKey: VWYQFZKTKAMCLU-UHFFFAOYSA-N

物化性质

• 熔点：
  330 °C (decomp)
• 沸点：
  391.1±42.0 °C(Predicted)
• 密度：
  2.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存于室温、干燥且密封的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-3,5-dibromobenzoic acid
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-Amino-3,5-dibromobenzoic acid
CAS number: 4123-72-2

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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.
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: C7H5Br2NO2
Molecular weight: 294.9

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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.

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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-氨基-3,5-二溴苯甲酸 在 ammonium hydroxide 、 乙醇 、 nitrogen oxides 、 五氯化磷 作用下， 生成 3,5-二溴苯甲酰胺
  参考文献：
  名称：

  Sudborough, Journal of the Chemical Society, 1895, vol. 67, p. 602

  摘要：

  DOI：
• 作为产物：
  描述：

  对氨基苯甲酸 在 1-bromo-4-(dimethylamino)pyridin-1-ium bromide 作用下， 以 水 为溶剂， 以90 %的产率得到4-氨基-3,5-二溴苯甲酸
  参考文献：
  名称：

  [DMAPBr]+Br-; 一种新的特异性亲电溴转移试剂，用于水中高环活化芳烃化合物

  摘要：

  发表于国际有机制剂和程序：有机合成新期刊（印刷前，2022 年）

  DOI：

  10.1080/00304948.2022.2124820

文献信息

• Photosensitive chiral self-assembling materials: significant effects of small lateral substituents
  作者：Martin Cigl、Alexej Bubnov、Miroslav Kašpar、František Hampl、Věra Hamplová、Oliva Pacherová、Jiří Svoboda

  DOI：10.1039/c6tc01103a

  日期：——

  photosensitive mesogens with lactate chiral units were synthesized. In order to modify the rate of the thermal Z–E isomerization of these compounds, small lateral substituents were introduced into their core in the proximity of the azo group. The influence of lateral substitution on the kinetics of the Z–E isomerization, mesomorphic behaviour, and UV-Vis absorption spectra was studied. It was found that

  合成了具有乳酸手性单元的新型基于偶氮苯的光敏液晶元。为了改变这些化合物的Z-E热异构化速率，将小的侧向取代基引入到偶氮基团附近的核中。研究了侧向取代对Z–E异构化动力学，同构行为和UV-Vis吸收光谱的影响。发现取代基在偶氮苯核中的位置显着影响它们的热异构化速率。Z的稳定性几种研究化合物的β-异构体可与为光学数据存储设计的具有复杂分子结构的化合物相媲美。尽管侧向取代影响核的宽度/长度比，但是仍保留了所研究材料的液晶性质。
• [EN] PHOTOALIGNING MATERIAL<br/>[FR] MATÉRIAU DE PHOTOALIGNEMENT
  申请人：ROLIC AG

  公开号：WO2013017467A1

  公开（公告）日：2013-02-07

  The present invention relates to a copolymer for the photoalignment of liquid crystals comprising a photoreactive group as given below in formula (I), compositions thereof, and its use for optical and electro optical devices, especially liquid crystal devices (LCDs).

  本发明涉及一种共聚物，用于液晶的光调向，包括如下所示的具有光反应性基团的化合物（I）的公式，以及其组合物，以及其在光学和电光设备，特别是液晶设备（LCD）中的使用。
• Green process development for the preparation of 2,6-dibromo-4-nitroaniline from 4-nitroaniline using bromide–bromate salts in an aqueous acidic medium
  作者：Venkatanarayana Pappula、Subbarayappa Adimurthy

  DOI：10.1039/c6ra13680j

  日期：——

  An organic solvent-free process for the preparation of 2,6-dibromo-4-nitroaniline, (an important intermediate in the synthesis of azo disperse dyes) from 4-nitroaniline using 2 : 1 bromide–bromate salts under an aqueous acidic medium at ambient conditions has been developed. The 2 : 1 bromide–bromate couple could be obtained by mixing pure NaBr/NaBrO3 salts or by adjusting the 5 : 1 mole ratio of NaBr/NaBrO3

  在2-1溴-溴酸盐的酸性水溶液中，在4-10℃的条件下，用4-硝基苯胺制备无有机溶剂的方法，由4-硝基苯胺制备2,6-二溴-4-硝基苯胺（重要的中间体偶氮分散染料的合成）。已经开发出环境条件。2：1的溴化物的溴酸盐耦合可以通过混合纯净的NaBr / NaBrO获得3的NaBr / 1摩尔比NaBrO：盐或通过调节5 3通过添加合适的氧化剂（在溴溶液工业中作为中间体通过水溶液从水溶液中获得），通过添加合适的氧化剂达到2∶1。反应完成后，通过简单过滤和用水洗涤来纯化产物。将含水酸性滤液循环多达五次，而不会损失产物的纯度和收率。该方法扩展到其他芳香族底物。
• PHOTOREACTIVE COMPOUNDS
  申请人：Lincker Frederic

  公开号：US20140192305A1

  公开（公告）日：2014-07-10

  The present invention relates to photoreactive compounds that are particularly useful in materials for the alignment of liquid crystals.

  本发明涉及光反应性化合物，特别适用于液晶对准材料的制作。
• PHOTOALIGNING MATERIAL
  申请人：Eckert Jean-Francois

  公开号：US20130035446A1

  公开（公告）日：2013-02-07

  The present invention relates to polymer, homo- or copolymer or oligomer for the photoalignment of liquid crystals comprising a main chain and a side chain, wherein the side chain comprises a difluoromethylene group, compositions thereof, and its use for optical and electro optical devices, especially liquid crystal devices (LCDs).

  本发明涉及用于液晶光调向的聚合物、同聚物或寡聚物，包括主链和侧链，其中侧链包括二氟甲亚甲基基团，以及其组合物，以及其在光学和电光设备，特别是液晶设备（LCD）中的应用。