2-NITRO-5-THIOCYANATOBENZOIC ACID

About This Item

Molecular Formula	C₈H₄N₂O₄S
CAS Number	30211-77-9

FC-0268397

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Properties

Chemical Identifiers

IUPAC Name	2-nitro-5-thiocyanatobenzoic acid
SMILES	C1=CC(=C(C=C1SC#N)C(=O)O)[N+](=O)[O-]
InChI Key	NQUNIMFHIWQQGJ-UHFFFAOYSA-M
InChI	InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)/p-1

Physical Properties

Boiling Point	449ºC at 760mmHg
Melting Point	156-157ºC(lit.)
Flash Point	225.4ºC
Density	1.63g/cm3

Safety Information

Hazard Class

Warning

Flash Point

225.4ºC

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.