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4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one Structure

4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one

  • Product Name4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
  • CAS15646-46-5
  • CBNumberCB0417644
  • MFC12H11NO3
  • MW217.22
  • EINECS239-713-9
  • MDL NumberMFCD00003204
  • MOL File15646-46-5.mol

Chemical Properties

Melting point: 94-96 °C (dec.)(lit.)
Boiling point: 357.77°C (rough estimate)
Density  1.2160 (rough estimate)
refractive index  1.5560 (estimate)
storage temp.  2-8°C
pka -2.59±0.20(Predicted)
form  Solid
color  Gray to brown
Water Solubility  Soluble in methanol (50 mg/ml), and water (partly).
BRN  163055
Major Application forensics and toxicology
pharmaceutical (small molecule)
veterinary
InChI InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey SJHPCNCNNSSLPL-UHFFFAOYSA-N
SMILES O1C(=O)C(=COCC)N=C1C1=CC=CC=C1
CAS DataBase Reference 15646-46-5(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H317
Precautionary statements  P280
PPE dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes  Xn
Risk Statements  43
Safety Statements  36
WGK Germany  3
RTECS  RQ5786250
HazardClass  IRRITANT
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1
Toxicity mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06780,
NFPA 704:
0
0 0

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4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one Chemical Properties,Usage,Production

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