4-甲基-2-硝基苯硼酸频那醇酯 | 1256359-10-0

• 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: 4-甲基-2-硝基苯硼酸频那醇酯
• 英文名称: 4-methyl-2-nitrophenylboronic acid pinacol ester
• 英文别名: 4,4,5,5-Tetramethyl-2-(4-methyl-2-nitrophenyl)-1,3,2-dioxaborolane
• CAS: 1256359-10-0
• 化学式: C₁₃H₁₈BNO₄
• 分子量: 263.101
• InChiKey: RDJAHMNUDOAUSC-UHFFFAOYSA-N

物化性质

• 沸点：
  375.1±35.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Methyl-2-nitrophenylboronic acid, pinacol ester
Synonyms: 4,4,5,5-Tetramethyl-2-(4-methyl-2-nitrophenyl)-1,3,2-dioxaborolane

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Methyl-2-nitrophenylboronic acid, pinacol ester
CAS number: 1256359-10-0

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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.
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.

---

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: C13H18BNO4
Molecular weight: 263.1

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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.

---

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-甲基-2-硝基苯硼酸频那醇酯 在 chromium(VI) oxide 、 硫酸 、 sodium carbonate 、 一水合肼 、 溶剂黄146 、 锌 作用下， 以 甲醇 、 乙醇 、 水 、 乙酸酐 、 甲苯 为溶剂， 反应 74.5h， 生成
  参考文献：
  名称：

  一种金属有机三元环状化合物的制备方法及其应用

  摘要：

  本发明属于精细化工技术领域，一种金属有机三元环状化合物的制备方法及其应用，其中制备方法，是以L作为配体,以过渡金属钴盐中的Co2+作为节点反应制得金属有机三元环状化合物，其合成路线如下：L+Co2+→Co‑L；本发明方法制备的金属有机三元环状化合物想法新颖，具备很好的还原活性，化合物的化学性质稳定，且容易大量合成，因此更容易投入实际应用中。Co‑DPD化合物在还原4‑[(4‑甲氧基苯基)亚氨基甲基]苯甲酸甲酯为4‑[(4‑甲氧基苯基)氨基甲基]苯甲酸甲酯的反应中，产率可高达83％,同时用于制取4‑[(4‑甲氧基苯基)氨基甲基]苄腈和N‑(4‑甲氧基苯基)‑4‑(三氟甲基)‑苯乙胺的产率可分别高达95％和80％。

  公开号：

  CN112679541B
• 作为产物：
  描述：

  4-溴-3-硝基甲苯 、 联硼酸频那醇酯 在 potassium acetate 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.25h， 以63.33%的产率得到4-甲基-2-硝基苯硼酸频那醇酯
  参考文献：
  名称：

  一种金属有机三元环状化合物的制备方法及其应用

  摘要：

  本发明属于精细化工技术领域，一种金属有机三元环状化合物的制备方法及其应用，其中制备方法，是以L作为配体,以过渡金属钴盐中的Co2+作为节点反应制得金属有机三元环状化合物，其合成路线如下：L+Co2+→Co‑L；本发明方法制备的金属有机三元环状化合物想法新颖，具备很好的还原活性，化合物的化学性质稳定，且容易大量合成，因此更容易投入实际应用中。Co‑DPD化合物在还原4‑[(4‑甲氧基苯基)亚氨基甲基]苯甲酸甲酯为4‑[(4‑甲氧基苯基)氨基甲基]苯甲酸甲酯的反应中，产率可高达83％,同时用于制取4‑[(4‑甲氧基苯基)氨基甲基]苄腈和N‑(4‑甲氧基苯基)‑4‑(三氟甲基)‑苯乙胺的产率可分别高达95％和80％。

  公开号：

  CN112679541B

文献信息

• [EN] MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT CERTAINES UTILITÉS PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2021011722A1

  公开（公告）日：2021-01-21

  This disclosure relates to compounds having pesticidal utility against pests in phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such compounds and intermediates used in such processes, compositions containing such compounds, and processes of using such compounds against such pests. These compounds/molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses compounds having the following formula (Formula One and/or Formula One-A).

  这份披露涉及具有杀虫作用的化合物，可用于鞭虫门、节肢动物门和/或软体动物门的害虫，用于生产这种化合物的过程和用于这种过程的中间体，含有这种化合物的组合物，以及使用这种化合物对抗这些害虫的过程。这些化合物/分子可以用作线虫杀剂、螨虫杀剂、杀虫剂、螨虫剂和/或软体动物杀虫剂。本文件披露了具有以下化学式的化合物（化学式一和/或化学式一-A）。
• EP3632897
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