5466-88-6

Name 2H-1,4-BENZOXAZIN-3(4H)-ONE
CAS 5466-88-6
Molecular Formula C8H7NO2
MDL Number MFCD00158536
Molecular Weight 149.15
MOL File 5466-88-6.mol
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Chemical Properties

Appearance white to almost white crystalline powder
Melting point  173-175 °C(lit.)
Boiling point  337.7±31.0 °C(Predicted)
density  1.244±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: soluble25mg/mL, clear, colorless
form  Flakes or Powder
pka 12.89±0.20(Predicted)
color  White to yellow to tan
λmax 286nm(EtOH)(lit.)
InChI 1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChIKey QRCGFTXRXYMJOS-UHFFFAOYSA-N
SMILES O=C1COc2ccccc2N1
CAS DataBase Reference 5466-88-6(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
RTECS  DM3270000
HazardClass  IRRITANT
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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