66777-94-4
BIS(4-NITROPHENYL) PHOSPHATE HYDRATE
NameBIS(4-NITROPHENYL) PHOSPHATE HYDRATE
FormulaC12 H9 N2 O8 P . H2 O
1Identification
【Name】
BIS(4-NITROPHENYL) PHOSPHATE HYDRATE
【CAS】
【MDL】
MFCD00149505
【English Synonyms】
【Formula】
C12 H9 N2 O8 P . H2 O
【MolWeight】
358.198
【Inchi】
InChI=1S/C12H9N2O8P.H2O/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,19,20);1H2
【InChIKey】
InChIKey=AJCYEUQRBLMJDI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-].O
【MOL File】
BIS(4-NITROPHENYL) P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIS(4-NITROPHENYL) PHOSPHATE HYDRATE.cml