4-Tolylboronic Acid 4-甲苯硼酸
CAS 5720-05-8 MFCD00039138
化学结构图
SMILES: Cc1ccc(B(O)O)cc1
化学属性
| Mol. Formula | C7H9BO2 |
|---|---|
| Mol. Weight | 135.96 |
| Melting Point | 256-263 |
| Density | 1.1 |
| TSCA | No |
| Appearance | white to off-white pwdr. |
| Boiling Point | 275.2°C at 760 mmHg |
| pH | :A |
别名和识别编码
| Chemical Name | 4-Tolylboronic Acid |
|---|---|
| CAS Number | 5720-05-8 |
| Alfabeta Name | TOLYLBORONICACID 4- |
| MDL Number | MFCD00039138 |
| 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 Number | 2935970 |
| PubChem Substance ID | 79799 |
| EC Number | 250-023-7 |
| Chemical Name Translation | 4-甲苯硼酸 |
| Reaxys-RN | 2935970 |
| Wiswesser Line Notation | QBQR D1 |
| LabNetwork Molecule ID | LN00117807 |
| InChI | InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3 |
| Canonical SMILES | CC1=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
- 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.....
GHS Symbol
- 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
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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
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