4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE Structure

4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE

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)
FDA UNII 3CLC92Z7WP
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P280
Hazard Codes  Xn
Risk Statements  43
Safety Statements  36
WGK Germany  3
RTECS  RQ5786250
HazardClass  IRRITANT
HS Code  29349990
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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