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

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

别名和识别编码

Chemical Name4-Tolylboronic Acid
CAS Number5720-05-8
Alfabeta NameTOLYLBORONICACID 4-
MDL NumberMFCD00039138
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
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


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