3-Methylbenzo[D]Isoxazole 3-甲基苯并[d]异恶唑

CAS 4825-75-6 MFCD03701200

化学结构图

4825-75-6
SMILES: Cc1noc2ccccc12

化学属性

Mol. FormulaC8H7NO
Mol. Weight133.15
Boiling Point229.7°C at 760 mmHg

别名和识别编码

Chemical Name3-Methylbenzo[D]Isoxazole
CAS Number4825-75-6
Synonym 3-Methylbenzo[d]isoxazole {LY} 3-Methylbenzo[d]isoxazole {} {LY} 3-Methylbenzo[d]isoxazole {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbenzo[d]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD03701200
Chemical Name Translation3-甲基苯并[d]异恶唑
LabNetwork Molecule IDLN00220762
PubChem Substance ID4068104
InChIInChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
Canonical SMILESCC1=NOC2=CC=CC=C12
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分类

  • Aromatics
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P312
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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）。
  • P330 Rinse mouth. 漱口
  • 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.....
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzisoxazole 苯并异恶唑

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