Sodium bis(4-nitrophenyl) phosphate

C12H8N2NaO8PCAS 4043-96-3362.17 g/mol

Open in Covalent MOL file
O−N+OOPO−OON+O−ONa+
NitroPhosphate

Properties

Molecular formula
C12H8N2NaO8P
Molar mass
362.17 g/mol
Exact mass
361.9916 Da
logP
2.68Crippen estimate
Polar surface area
142.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4043-96-3
SMILES
[O-][N+](=O)c1ccc(OP([O-])(=O)Oc2ccc([N+]([O-])=O)cc2)cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

6 names
  • Phosphoric acid, bis(4-nitrophenyl) ester, sodium salt (1:1)
  • Phenol, p-nitro-, hydrogen phosphate, sodium salt
  • Phosphoric acid, bis(p-nitrophenyl) ester, sodium salt
  • Phosphoric acid, bis(4-nitrophenyl) ester, sodium salt
  • Sodium bis(p-nitrophenyl)phosphate
  • Sodium di(p-nitrophenyl) phosphate

Work with Sodium bis(4-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.

Bis(p-nitrophenyl) phosphate645-15-8Free acid

Similar compounds

Disodium p-nitrophenyl phosphate4264-83-972 % similar 4-Nitrophenyl phosphate disodium salt hexahydrate333338-18-467 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-353 % similar Parathion methyl298-00-050 % similar Sodium p-nitrophenolate824-78-250 % similar 4-Nitroanisole100-17-449 % similar 1,4-Dinitrobenzene100-25-448 % similar 1-Nitro-4-phenoxybenzene620-88-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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