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3-Phenyl-5-isoxazolone Structure

3-Phenyl-5-isoxazolone

  • Product Name3-Phenyl-5-isoxazolone
  • CAS1076-59-1
  • CBNumberCB5405253
  • MFC9H7NO2
  • MW161.16
  • EINECS214-064-4
  • MDL NumberMFCD00003158
  • MOL File1076-59-1.mol

Chemical Properties

Melting point: 155-158 °C(lit.)
Boiling point: 248.1±23.0℃ (760 Torr)
Density  1.25±0.1 g/cm3 (20 ºC 760 Torr)
refractive index  1.5050 (estimate)
Flash point: 117.8±17.1℃
storage temp.  Store at room temperature
form  Crystalline Solid
color  Light beige to pink
BRN  5075
InChI 1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey IHKNLPPRTQQACK-UHFFFAOYSA-N
SMILES O=C1CC(=NO1)c2ccccc2
CAS DataBase Reference 1076-59-1(CAS DataBase Reference)
EPA Substance Registry System 5(4H)-Isoxazolone, 3-phenyl- (1076-59-1)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  T
Risk Statements  23/24/25-36/37/38
Safety Statements  24/25-45-36/37/39-26
WGK Germany  3
TSCA  TSCA listed
HS Code  2934999090
Storage Class 11 - Combustible Solids

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