Bis(p-nitrophenyl) phosphate

C12H9N2O8PCAS 645-15-8340.18 g/mol

Open in Covalent MOL file
ON+O−OPOHOON+OO−
NitroPhosphate

Properties

Molecular formula
C12H9N2O8P
Molar mass
340.18 g/mol
Exact mass
340.0097 Da
Melting point
175 °C
logP
3.06Crippen estimate
Polar surface area
142.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
645-15-8
SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
MHSVUSZEHNVFKW-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N2O8P/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)

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Names and synonyms

11 names
  • Phosphoric acid, bis(4-nitrophenyl) ester
  • Phosphoric acid, bis(p-nitrophenyl) ester
  • Phenol, p-nitro-, hydrogen phosphate
  • Di-p-nitrophenyl phosphate
  • BNPP
  • p-Nitrophenyl monohydrogen phosphate
  • Bis(4-nitrophenyl) phosphate
  • Bis(4-nitrophenyl) hydrogen phosphate
  • Bis(p-nitrophenyl) hydrogen phosphate
  • NSC 59824
  • Bis-PNPP

Work with Bis(p-nitrophenyl) phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium bis(4-nitrophenyl) phosphate4043-96-3Salt

Similar compounds

Disodium p-nitrophenyl phosphate4264-83-958 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar 4-Nitrophenyl phosphate disodium salt hexahydrate333338-18-454 % similar Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)68189-42-453 % similar 4-Nitrophenyl formate1865-01-653 % similar Parathion methyl298-00-053 % similar Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-852 % similar 1,4-Dinitrobenzene100-25-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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