Bis(4-nitrophenyl) Phenyl Phosphate - CAS 38873-96-0

Catalog:	BB072537
Product Name:	Bis(4-nitrophenyl) Phenyl Phosphate
CAS:	38873-96-0
Synonyms:	bis(4-nitrophenyl) phenyl phosphate; NPPP; p-nitrophenyl-(phenyl)-phosphate; Bis(4-nitrophenyl)phenyl Phosphate; Bis(4-nitrophenoxy)phenoxyphosphine oxide; Phosphoric acid, bis(4-nitrophenyl) phenyl ester

Technical Data

IUPAC Name:	bis(4-nitrophenyl) phenyl phosphate
Description:	Bis(4-nitrophenyl) phenyl phosphate is a useful intermediate in the preparation of phosphorus-containing polybenzoxazines.
Molecular Weight:	416.28
Molecular Formula:	C18H13N2O8P
Canonical SMILES:	C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
InChI:	InChI=1S/C18H13N2O8P/c21-19(22)14-6-10-17(11-7-14)27-29(25,26-16-4-2-1-3-5-16)28-18-12-8-15(9-13-18)20(23)24/h1-13H
InChI Key:	JLHBAYXOERKFGV-UHFFFAOYSA-N
Melting Point:	107 - 112°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Inert atmosphere
References:	Zhang, T., et al. Chin. J. Polym. Sci., 30, 250 (2012).

Complexity:	560
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	416.04095237
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	416.04095237
Rotatable Bond Count:	6
Topological Polar Surface Area:	136Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2