5(4H)-Isoxazolone, 3-phenyl- 3-苯基-5-异噁唑酮

CAS 1076-59-1 MFCD00003158

化学结构图

1076-59-1
SMILES: O=C1CC(c2ccccc2)=NO1

化学属性

Mol. FormulaC9H7NO2
Mol. Weight161.16
Melting Point155-158 °C
TSCAYes
Boiling Point248.1±23.0 °C at 760 mmHg

别名和识别编码

Chemical Name5(4H)-Isoxazolone, 3-phenyl-
Synonym 3-Phenyl-5-isoxazolone {LY} 3-Phenyl-5-isoxazolone {} {LY} 3-Phenyl-5-isoxazolone {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-5-isoxazolone {} {} {} {} {} {} {} {}
MDL NumberMFCD00003158
CAS Number1076-59-1
EC Number214-064-4
Beilstein Registry Number5075
PubChem Substance ID70641
Chemical Name Translation3-苯基-5-异噁唑酮
InChIKeyIHKNLPPRTQQACK-UHFFFAOYSA-N
InChIInChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
LabNetwork Molecule IDLN01818330
Canonical SMILESO=C(C1)ON=C1C2=CC=CC=C2
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; alicycle; 5ring; 6ring; ester; lactone; 1fragment

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
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
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。
  • P264+P265
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 3-苯基-5-异恶唑酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 130700050 3-苯基-5-异恶唑酮 3-Phenyl-5-isoxazolone 99+% 5 GR 335元 2010/05/25 A15837 3-苯基-5-异唑酮, 98% 3-Phenyl-5-isoxazolone, 98% 5g 337元 2010/05/25 A15837 3-苯基-5-异唑酮, 98% 3-Phenyl-5-isoxazolone, 98% 25g 1050元
  • 图谱信息:3-苯基-5-异恶唑酮(1076-59-1)核磁图( 1 HNMR) 3-苯基-5-异恶唑酮(1076-59-1)质谱(MS) 3-苯基-5-异恶唑酮(1076-59-1)红外图谱(IR1) 3-苯基-5-异恶唑酮(1076-59-1)核磁图( 13 CNMR) 3-苯基-5-异恶唑酮(1076-59-1)红外图谱(IR2)
  • Sigma Aldrich:1076-59-1(sigmaaldrich)
  • Alfa Aesar:3-苯基-5-异唑酮,98% 3-Phenyl-5-isoxazolone, 98%(1076-59-1)
  • MOL 文件:1076-59-1.mol
  • Acros Organics:3-Phenyl-5-isoxazolone, 97%(1076-59-1)

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. Isoxazoles 异恶唑
  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. Isoxazoles 异恶唑
  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. Oxazoles 恶唑

相关产品推荐