2,4,6-三氯苯硼酸 | 73852-18-3

• 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: 2,4,6-三氯苯硼酸
• 中文别名: 2,4,6-三氯苯基硼酸；2.4.6-三氯苯硼酸
• 英文名称: 2,4,6-trichlorophenylboronic acid
• 英文别名: (2,4,6-trichlorophenyl)boronic acid
• CAS: 73852-18-3
• 化学式: C₆H₄BCl₃O₂
• 分子量: 225.267
• InChiKey: JWWBOINZBOIAHR-UHFFFAOYSA-N

物化性质

• 熔点：
  162-164
• 沸点：
  363.9±52.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2931900090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Name:	2 4 6-Trichlorophenylboronic Acid Material Safety Data Sheet
Synonym:	None Known
CAS:	73852-18-3

Section 1 - Chemical Product MSDS Name:2 4 6-Trichlorophenylboronic Acid Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
73852-18-3	2,4,6-Trichlorophenylboronic Acid	ca. 100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 73852-18-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H4BCl3O2
Molecular Weight: 225.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat.
Incompatibilities with Other Materials:
Acids, oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide, boron oxides.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 73852-18-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4,6-Trichlorophenylboronic Acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 73852-18-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 73852-18-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 73852-18-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,4,6-三氯苯硼酸 在 potassium hydroxide 作用下， 以 水 为溶剂， 生成 1,3,5-三氯苯
  参考文献：
  名称：

  Base-Promoted Protodeboronation of 2,6-Disubstituted Arylboronic Acids

  摘要：

  Facile based promoted deboronation of electron-deficient arylboronate esters was observed for arylboronates containing two ortho electron-withdrawing group (EWG) substituents. Among 30 representative boronates, only the diortho-substituted species underwent facile C-B fission in aqueous basic conditions (200 mM hydroxide). These results provide fundamental insight into deboronative mechanisms with implications for cross-coupling reactions, regioselective deuteration/tritiation for isotopic labeling, and the design of new F-18-trifluoroborate radioprosthetics.

  DOI：

  10.1021/jo500734z

文献信息

• A Highly Efficient Dimeric Manganese‐Catalyzed Selective Hydroarylation of Internal Alkynes
  作者：Yubo Pang、Gengtu Liu、Congcong Huang、Xiang‐Ai Yuan、Weipeng Li、Jin Xie

  DOI：10.1002/anie.202004950

  日期：2020.7.27

  inherent double controlled strategy of sterically hindered propargyl alcohols without the installing of external directing groups. Its synthetic robustness and practicality have been illustrated by the concise synthesis of bervastatin, a hypolipidemic drug, and late‐stage modification of complex alkynes with precise regioselectivity.

  在水存在下，在没有配体参与的空气气氛下，我们已经开发了一种通用且可预测的锰催化内部炔烃加氢芳基化反应。与其他广泛使用的过渡金属催化剂（包括钯，铑，镍或铜）相比，该反应具有独特的催化特性。简单的操作，高效和出色的官能团兼容性使该协议可用于90多种结构不同的内部炔烃，克服了炔烃的电子和空间效应的影响。其独特的区域选择性和化学选择性来自于锰基催化剂对固有的双重控制策略（受阻炔丙基醇）的固有反应性，而无需安装外部引导基团。
• [EN] BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C<br/>[FR] COMPOSÉS DE BENZODIAZÉPINE UTILES POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2011151651A1

  公开（公告）日：2011-12-08

  The invention concerns benzodiazepine derivatives of Formula (I) wherein A, X, L1, L2, R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the treatment or prophylaxis of hepatitis C virus infection.

  这项发明涉及式（I）的苯二氮卓啉衍生物，其中A、X、L1、L2、R1、R2、R3、R4、R5、R6和R7如描述中所定义。本发明还涉及制备这类化合物的方法、含有它们的药物组合物以及它们在治疗或预防丙型肝炎病毒感染中的用途。
• A Suzuki-type cross-coupling reaction of arylacetylene halides with arylboronic acids
  作者：Yu Shi、Xiaoyu Li、Jianhui Liu、Wenfeng Jiang、Licheng Sun

  DOI：10.1002/aoc.1795

  日期：2011.7

  conditions using PdCl2 as catalyst, MeOHPhMeH2O as solvent and K2CO3 as base effectively suppressed the formation of homo‐coupling product and afforded moderate to good yield of the desired unsymmetrical coupling product. This reaction represents a Suzuki‐type sp2(CB)–sp(CX) cross‐coupling. Copyright © 2011 John Wiley & Sons, Ltd.

  描述了PdCl 2催化的芳基硼酸的直接炔基化反应，生成二芳基乙炔。使用的PdCl的最佳条件2为催化剂，MeOH中的PhMe  ħ 2 O作为溶剂和K 2 CO 3作为碱有效地抑制均聚物偶联产物的形成时，可以得到适度的到所需的不对称偶合产物的良好的产率。该反应代表铃木型sp 2（CB）–sp（CX）交叉偶联。版权所有©2011 John Wiley＆Sons，Ltd.
• [EN] BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION<br/>[FR] DÉRIVÉS DE BENZODIAZÉPINE POUR LE TRAITEMENT D'UNE INFECTION DE TYPE HÉPATITE C
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2011027156A1

  公开（公告）日：2011-03-10

  The invention concerns benzodiazepine derivatives of Formula (I) wherein W, X, L1, L2, L3, R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the treatment or prophylaxis of hepatitis C virus infection.

  该发明涉及式（I）的苯二氮䓬类衍生物，其中W、X、L1、L2、L3、R1、R2、R3、R4、R5、R6和R7如描述中定义。本发明还涉及制备这类化合物的方法、含有它们的药物组合物以及它们在治疗或预防丙型肝炎病毒感染中的用途。
• 다환 화합물 및 이를 포함하는 유기 발광 소자
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20200005489A

  公开（公告）日：2020-01-15

  본 명세서는 화학식 1로 표시되는 화합물 및 이를 포함하는 유기 발광 소자를 제공한다.

  本规范提供了化学式为1的化合物以及包含该化合物的有机发光器件。