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
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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


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