57840-80-9
2',6'-DINITRO-4'-(TRIFLUOROMETHYL)METHANESULFONANILIDE
Name2',6'-DINITRO-4'-(TRIFLUOROMETHYL)METHANESULFONANILIDE
1Identification
【Name】
2',6'-DINITRO-4'-(TRIFLUOROMETHYL)METHANESULFONANILIDE
【CAS】
【MDL】
MFCD00095659
【English Synonyms】
【Formula】
C8 H6 F3 N3 O6 S
【MolWeight】
329.21
【Inchi】
InChI=1S/C8H6F3N3O6S/c1-21(19,20)12-7-5(13(15)16)2-4(8(9,10)11)3-6(7)14(17)18/h2-3,12H,1H3
【InChIKey】
InChIKey=JGXUHUJGYWAUGQ-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
【MOL File】
2',6'-DINITRO-4'-(TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2',6'-DINITRO-4'-(TRIFLUOROMETHYL)METHANESULFONANILIDE.cml