2-Nitro-4-methylsulfonyltoluene

About This Item

Molecular Formula	C₈H₉NO₄S
CAS Number	1671-49-4

FC-0689604

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Properties

Chemical Identifiers

IUPAC Name	1-methyl-4-methylsulfonyl-2-nitrobenzene
SMILES	CC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]
InChI Key	OXBDLEXAVKAJFD-UHFFFAOYSA-N
InChI	InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3

Physical Properties

Boiling Point	387.8±42.0 °C at 760 mmHg
Melting Point	120-121°C
Flash Point	188.3±27.9 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

188.3±27.9 °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.