1,3-苯二硼酸 | 4612-28-6

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 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: 1,3-苯二硼酸
• 中文别名: 间苯二硼酸
• 英文名称: 1,3-phenylenediboronic acid
• 英文别名: 1,3-benzenediboronic acid；1,3-phenyldiboronic acid；benzene-1,3-diboronic acid；m-phenylenediboronic acid；1,3-phenylenebisboronic acid；1,3-bdba；(3-boronophenyl)boronic acid
• CAS: 4612-28-6
• 化学式: C₆H₈B₂O₄
• mdl: MFCD03092915
• 分子量: 165.749
• InChiKey: UXPAASVRXBULRG-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°C
• 沸点：
  456.4±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  在常温常压下保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  29310095
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  请将药品存放在避光、通风干燥的地方，并密封保存。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1,3-Benzenediboronic acid
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
P264: Wash thoroughly after handling
P270: Do not eat, drink or smoke when using this product
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P321: Specific treatment (see on this label)
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 1,3-Benzenediboronic acid
CAS number: 4612-28-6

---

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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.

---

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.

---

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.

---

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, refrigerated.

---

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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H8B2O4
Molecular weight: 165.7

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,3-苯二硼酸 在 乙二醇 作用下， 以 丙酮 为溶剂， 以74%的产率得到1,3-bis(di-n-butoxy)-boryl-phenylene
  参考文献：
  名称：

  Morgan, Jacqueline; Pinhey, John T., Journal of the Chemical Society. Perkin transactions I, 1990, p. 715 - 720

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-(BCl2)2-C6H4 生成 1,3-苯二硼酸
  参考文献：
  名称：

  Benzenediboronic Acids

  摘要：

  DOI：

  10.1021/ja01569a025

文献信息

• Isotruxene-based porous polymers as efficient and recyclable photocatalysts for visible-light induced metal-free oxidative organic transformations
  作者：Haowen Zhang、Cen Zhou、Ying Zheng、Xiao Zhang

  DOI：10.1039/d1gc03165a

  日期：——

  The first implementation of isotruxene-based porous polymers (IsoPOPs) in catalysis is described, which allows oxidative chemical transformations to be conducted with air as the benign oxidant under visible-light irradiation in a metal-free fashion.

  描述了以异三萜基多孔聚合物（IsoPOPs）为基础的催化剂的首次实现，该催化剂允许在无金属的情况下，在可见光照射下使用空气作为温和氧化剂进行化学转化。
• [EN] NOVEL COMPOUNDS AND THEIR USE IN THERAPY<br/>[FR] COMPOSÉS INÉDITS ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：BIOCHROMIX PHARMA AB

  公开号：WO2013009259A1

  公开（公告）日：2013-01-17

  The present invention relates to novel chemical compounds formula (I) (C)n-B-(A)m-B-(C)n (I) wherein m is 0 or 1, and n is independently 0, 1, 2 or 3, A, each B and each C are independently selected from phenylene and five-and six-membered heteroaromatic rings, and for a terminal ring B or C also from bicyclic heteroaromatic fused rings having seven to ten ring members, wherein the bond between at least two of the rings A to C may be replaced by a carbonyl group (-CO-), wherein at least two of the rings A to C are substituted with one or two groups R, and wherein each ring A to C further optionally is substituted with one or two groups R1. The compounds are useful in therapy, especially therapy of a mammal suffering from a disease involving misfolded or aggregated forms of proteins.

  本发明涉及一种新型化合物的化学式（I）（C）n-B-（A）m-B-（C）n（I），其中m为0或1，n独立地为0、1、2或3，A、每个B和每个C独立地选自苯基和五元和六元杂芳环，对于末端环B或C还可以选自具有七至十个环成员的双环杂芳融合环，其中至少两个环A到C之间的键可以被羰基（-CO-）取代，其中至少两个环A到C被一个或两个基团R取代，每个环A到C还可以选择地被一个或两个基团R1取代。这些化合物在治疗中有用，特别是在治疗患有涉及蛋白质错误折叠或聚集形式的疾病的哺乳动物的治疗中。
• [EN] NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING<br/>[FR] NOUVEAUX COMPOSÉS DE THIOPHÈNE ET PROCÉDÉ POUR IMAGERIE IN VIVO
  申请人：BIOCHROMIX AB

  公开号：WO2013036196A1

  公开（公告）日：2013-03-14

  The present invention relates to novel labelled compounds of formula (I) (C)n-B-(A)m-B-(C)n (I) wherein m is 0 or 1, and n is independently 0, 1, 2 or 3, A, each B and each C are independently selected from phenylene and five- and six-membered heteroaromatic rings, and for a terminal ring B or C also from bicyclic heteroaromatic fused rings having seven to ten ring members, wherein the bond between at least two of the rings A to C may be replaced by a carbonyl group ( -CO- ), wherein at least two of the rings A to C are substituted with one or two groups R, and wherein each ring A to C further optionally is substituted with one or two groups R1, for use in imaging amyloid deposits and aggregated protein in living patients. The invention further relates to imaging methods using labelled or unlabelled compounds of formual I and the use of unlabelled compounds in such methods.

  本发明涉及公式（I）（C）n-B-（A）m-B-（C）n的新型标记化合物，其中m为0或1，n独立地为0、1、2或3，A、每个B和每个C独立地选自苯基和五元和六元杂芳环，对于末端环B或C还可以选自具有七至十个环成员的双环杂芳融合环，其中至少两个环A到C之间的键可以被羰基（-CO-）取代，其中至少两个环A到C被一个或两个基团R取代，每个环A到C还可以选择地被一个或两个基团R1取代，用于在活体患者中成像淀粉样沉积物和聚集蛋白。该发明还涉及使用公式I的标记或未标记化合物的成像方法，以及未标记化合物在这些方法中的使用。
• 一种有机化合物及其应用
  申请人：南京高光半导体材料有限公司

  公开号：CN107663214B

  公开（公告）日：2019-10-15

  本发明公开了一种有机化合物及其应用，所述化合物的通式如下。所述化合物可应用于有机电致发光器件中，如空穴注入层材料、空穴传输层材料、电子阻隔层材料、发光层材料和覆盖层材料。与现有技术相比，本发明具有以下优点：(1)本发明所述有机化合物可用作空穴注入层材料、空穴传输层材料、电子阻隔层材料、绿色磷光或是红色荧光主体物质等发光层材料、覆盖层材料，从而应用于制备有机电致发光器件；(2)可降低驱动电压，提高发光效率、亮度、热稳定性、色彩纯度及器件的寿命；(3)采用本发明所述化合物制备获得的有机电致发光器件具有高效率及长寿命的优点。
• 用于在有机光电二极管中的有机光电转换层 的N和P活性材料
  申请人：索尼公司

  公开号：CN107531637B

  公开（公告）日：2021-10-22

  本公开的领域在于用于有机图像传感器的活性材料。本公开涉及透明N材料和/或涉及透明P材料以及它们在吸收层、光电转换层和/或有机图像传感器中的用途，以及它们的合成方法。本公开还涉及包括根据本公开的活性材料的光电转换层，涉及包括根据本公开的活性材料或根据本公开的光电转换层的器件。此外，本公开涉及有机图像传感器，包括根据本公开的光电转换层。

表征谱图