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1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole Structure

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

Chemical Properties

Melting point 133-135 °C(lit.)
storage temp.  -20°C
form  Powder or Crystalline Powder
color  White to yellow
InChI 1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3
InChIKey ZQMJAWSQRGYFBM-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)S(=O)(=O)n2cnc(n2)[N+]([O-])=O
CAS DataBase Reference 77451-51-5(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HS Code  29350090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
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