1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-3-NITRO-1H-1,2,4-TRIAZOLE

About This Item

Molecular Formula	C₁₇H₂₄N₄O₄S
CAS Number	73118-37-3

FC-0640852

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Properties

Chemical Identifiers

IUPAC Name	3-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-])C(C)C
InChI Key	XJBNCASBZVSLGO-UHFFFAOYSA-N
InChI	InChI=1S/C17H24N4O4S/c1-10(2)13-7-14(11(3)4)16(15(8-13)12(5)6)26(24,25)20-9-18-17(19-20)21(22)23/h7-12H,1-6H3

Physical Properties

Boiling Point	523.9±60.0 °C at 760 mmHg
Melting Point	128-130ºC(lit.)
Flash Point	270.7±32.9 °C
Density	1.3±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

270.7±32.9 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.