131-74-8
AMMONIUM 2,4,6-TRINITROPHENOLATE
NameAMMONIUM 2,4,6-TRINITROPHENOLATE
FormulaC6 H3 N3 O7 . H3 N
1Identification
【Name】
AMMONIUM 2,4,6-TRINITROPHENOLATE
【CAS】
【MDL】
MFCD00661079
【English Synonyms】
【Formula】
C6 H3 N3 O7 . H3 N
【MolWeight】
246.134
【Inchi】
InChI=1S/C6H3N3O7.H3N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;1H3
【InChIKey】
InChIKey=PADMMUFPGNGRGI-UHFFFAOYSA-N
【SMILES】
c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].N
【MOL File】
AMMONIUM 2,4,6-TRINI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
AMMONIUM 2,4,6-TRINITROPHENOLATE.cml