1006-65-1

Name 3-Phenylisoxazole
CAS 1006-65-1
Molecular Formula C9H7NO
Molecular Weight 145.16
MOL File 1006-65-1.mol
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Chemical Properties

Melting point  110-111 °C
Boiling point  128 °C(Press: 16 Torr)
density  1.1399 g/cm3(Temp: 18.6 °C)
form  solid
pka -2.58±0.50(Predicted)
InChI 1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKey ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
SMILES c1ccc(cc1)-c2ccon2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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