15646-46-5

Name 4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE
CAS 15646-46-5
EINECS(EC#) 239-713-9
Molecular Formula C12H11NO3
MDL Number MFCD00003204
Molecular Weight 217.22
MOL File 15646-46-5.mol

Chemical Properties

Appearance white to orange or pink powder
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
form  neat
pka -2.59±0.20(Predicted)
color  Gray to brown
Water Solubility  Soluble in methanol (50 mg/ml), and water (partly).
BRN  163055
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 Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P280
Hazard Codes  Xn
Risk Statements 
R43:May cause sensitization by skin contact.
Safety Statements 
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  RQ5786250
HazardClass  IRRITANT
HS Code  29349990
Toxicity
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06780,

Hazard Information

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