4-Tolylboronic Acid 4-甲苯硼酸

CAS 5720-05-8 MFCD00039138

化学结构图

5720-05-8
SMILES: Cc1ccc(B(O)O)cc1

化学属性

Density1.1
TSCANo
Mol. FormulaC7H9BO2
Mol. Weight135.96
Appearance white to off-white pwdr.
Melting Point256-263°C
Boiling Point275.2°C at 760 mmHg
pH:A

别名和识别编码

Chemical Name4-Tolylboronic Acid
Alfabeta NameTOLYLBORONICACID 4-
Synonym 4-Tolylboronic acid {LY} 4-Tolylboronic acid {} {LY} 4-Tolylboronic acid {} {} {LY} 4-Tolylboronic acid {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Tolylboronic acid {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number2935970
PubChem Substance ID79799
EC Number250-023-7
Chemical Name Translation4-甲苯硼酸
Reaxys-RN2935970
Wiswesser Line NotationQBQR D1
LabNetwork Molecule IDLN00117807
InChIInChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
MDL NumberMFCD00039138
CAS Number5720-05-8
Canonical SMILESCC1=CC=C(B(O)O)C=C1
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分类

  • {SNA} Aryl Boronic Acids, Boronic Acids, Boronic Acids and Derivatives, Chemical Synthesis, Monosubstituted Aryl Boronic Acids, Organometallic Reagents
  • Aryl Boronic Acids, Boronic Acids, Boronic Acids and Derivatives, Chemical Synthesis, Monosubstituted Aryl Boronic Acids, Organometallic Reagents

相关文献及参考

  • 8. Zhang, J.; et al. , Ligand-free copper-catalyzed coupling of nitroarenes with arylboronic acids Green Chem. 4th ed., 14 , 912-916, (2012)
  • 3. Sartori, G.; et al., Highly effective synthesis of C-5-substituted 2'-deoxyuridine using Suzuki-Miyaura cross-coupling in water Synthesis 5th ed., 44 , 767-772, (2012)
  • For general chemistry of boronic acids, see Appendix 5.
  • 7. Xue, F.; et al. , Rhodium-Catalyzed Asymmetric Conjugate Addition of Arylboronic Acids to Nitroalkenes Using Olefin-Sulfoxide Ligands J. Org. Chem. 7th ed., 77 , 3071-3081, (2012) 摘要
  • 6. Dastbaravardeh, N.; Schnuerch, M.; Mihovilovic, M. D. , Ruthenium(0)-Catalyzed sp3 C-H Bond Arylation of Benzylic Amines Using Arylboronates Org. Lett. 7th ed., 14 , 1930-1933, (2012) 摘要
  • GC reagent for diols: J. Chromat., 158, 33 (1978); 186, 307 (1979).
  • Beilstein: 16,IV,1673

安全信息

Warnings IRRITANT
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
RTECSXS7400000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 172 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APYPAY Acta Physiologica Polonica.  (Karger-Libri, POB CH-4009, Warszawa,
   Switzerland) V.1-41, 1950-90.  Volume(issue)/page/year: 12,173,1961

其他信息

  • Alfa Aesar:4-甲基苯硼酸,98% 4-Methylbenzeneboronic acid, 98%(5720-05-8)
  • Sigma Aldrich:5720-05-8(sigmaaldrich)
  • TCI Shanghai:4-甲苯硼酸(含有数量不等的酸酐) 4-Methylphenylboronic Acid (contains varying amounts of Anhydride)(5720-05-8)
  • Acros Organics:4-甲苯基硼酸 4-Tolylboronic acid, 97%(5720-05-8)
  • MOL 文件:5720-05-8.mol
  • Hazard Note:Irritant
  • 下游产品:
  • 4-甲苯硼酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1126 4-甲基苯硼酸(含有数量不等的酸酐) 4-Methylphenylboronic Acid (contains varying amounts of Anhydride) 25G 1670元 2014/06/02 M1126 4-甲基苯硼酸(含有数量不等的酸酐) 4-Methylphenylboronic Acid (contains varying amounts of Anhydride) 5G 494元 2010/06/21 344430250 4-甲苯硼酸 4-Tolylboronic acid 97% 25 GR 4283元
  • 检测方法:HPLC,NMR

系列性分类

  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Boronic Acids and Derivatives 硼酸和硼酸衍生物
  4. Boronic Acids 硼酸
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Boronic Acids and Derivatives 硼酸和硼酸衍生物
  4. Boronic Acids 硼酸
  5. Aryl Boronic Acids - Boronic Acids
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Boronic Acids and Derivatives 硼酸和硼酸衍生物
  4. Boronic Acids 硼酸
  5. Aryl Boronic Acids - Boronic Acids
  6. Monosubstituted Aryl Boronic Acids - Aryl Boronic Acids
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Boronic Acids and Derivatives 硼酸和硼酸衍生物
  4. Boronic Acids 硼酸
  5. Alkyl
  1. Functional Group 官能团索引
  2. boronic acid
  1. Boronic Acid and Ester
  2. Boron

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