57777-84-1

Name 1-(4-NITROBENZENESULFONYL)-1H-1,2,4-TRIAZOLE
CAS 57777-84-1
EINECS(EC#) 260-946-7
Molecular Formula C8H6N4O4S
MDL Number MFCD00079529
Molecular Weight 254.22
MOL File 57777-84-1.mol
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Chemical Properties

Boiling point  506.4±52.0 °C(Predicted)
density  1.69
storage temp.  2-8°C
form  crystals
pka -1.86±0.11(Predicted)
BRN  619754
InChI 1S/C8H6N4O4S/c13-12(14)7-1-3-8(4-2-7)17(15,16)11-6-9-5-10-11/h1-6H
InChIKey HMNOLKQVFZCVIW-UHFFFAOYSA-N
SMILES O=N(=O)c1ccc(cc1)S(=O)(=O)n2cncn2
CAS DataBase Reference 57777-84-1(CAS DataBase Reference)

Safety Data

WGK Germany  3
F  10-21
Storage Class 11 - Combustible Solids

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