Sodium phenylphosphinate

C6H6NaO2PCAS 4297-95-4164.08 g/mol

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O−PHONa+

Properties

Molecular formula
C6H6NaO2P
Molar mass
164.08 g/mol
Exact mass
164.0003 Da
logP
0.40Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
4297-95-4
SMILES
[O-]P(=O)c1ccccc1.[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

5 names
  • Phosphinic acid, P-phenyl-, sodium salt (1:1)
  • Phosphinic acid, phenyl-, monosodium salt
  • Phenylphosphinic acid, sodium salt
  • Sodium benzenephosphinate
  • Monosodium phenylphosphonite

Work with Sodium phenylphosphinate

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.

Phenylphosphinic acid1779-48-2Free acid

Similar compounds

Diphenylphosphine oxide4559-70-044 % similar Sodium phenoxide139-02-638 % similar Sodium benzenesulfonate515-42-437 % similar Sodium benzoate532-32-135 % similar Sodium benzenesulfinate873-55-235 % similar Sodium phenylacetate114-70-533 % similar Sodium tetraphenylborate143-66-833 % similar Nitrosobenzene586-96-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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