179068-02-1

Name PHCCC
CAS 179068-02-1
Molecular Formula C17H14N2O3
Molecular Weight 294.3
MOL File 179068-02-1.mol

Chemical Properties

Boiling point  579.135±50.00 °C(Press: 760.00 Torr)(predicted)
density  1.415±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  Soluble in DMSO
form  Powder
pka 10.741±0.40(predicted)
color  White to off-white
InChI 1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15+
InChIKey FPXPIEZPAXSELW-XDJHFCHBSA-N
SMILES O=C(NC1=CC=CC=C1)C2(C/3C2)OC4=C(C=CC=C4)C3=N/O

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
Signal word  Danger
Hazard statements  H301+H311-H320-H370
Precautionary statements  P501-P260-P270-P264-P280-P337+P313-P305+P351+P338-P308+P311-P361+P364-P301+P310+P330-P302+P352+P312-P405
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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