54230-60-3

Name 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole
CAS 54230-60-3
EINECS(EC#) 259-035-7
Molecular Formula C17H25N3O2S
MDL Number MFCD00014089
Molecular Weight 335.46
MOL File 54230-60-3.mol
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Chemical Properties

Melting point  111-114 °C
Boiling point  451.9±55.0 °C(Predicted)
density  1.17±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  powder to crystal
pka -1.13±0.11(Predicted)
color  White to Almost white
Sensitive  Moisture Sensitive
InChI InChI=1S/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3
InChIKey BKJMMUUBRUWPPQ-UHFFFAOYSA-N
SMILES N1(S(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)(=O)=O)C=NC=N1
CAS DataBase Reference 54230-60-3(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 .
WGK Germany  3
F  10-21
HS Code  29339900

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