Sodium phenoxide

C6H5NaOCAS 139-02-6116.09 g/mol

Open in Covalent MOL file
O−Na+
Phenol

Properties

Molecular formula
C6H5NaO
Molar mass
116.09 g/mol
Exact mass
116.0238 Da
Density
0.9 g/mL
Melting point
59–60 °C
Water solubility
very soluble
logP
1.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
139-02-6
SMILES
[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.

Weigh it out

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Names and synonyms

7 names
  • Phenol, sodium salt (1:1)
  • Phenol, sodium salt
  • Phenol sodium
  • Sodium carbolate
  • Sodium phenate
  • Sodium phenolate
  • Sodium phenylate

Work with Sodium phenoxide

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.

Benzophenol108-95-2Free acid Phen-2,3,4,5,6-d5-ol-d13127-88-3Free acid, labelled Tetraphenylphosphonium phenoxide15464-47-8Salt

Similar compounds

Sodium orthophenyl phenol132-27-444 % similar Sodium tetraphenylborate143-66-843 % similar Sodium p-nitrophenolate824-78-241 % similar Sodium benzenesulfonate515-42-440 % similar Sodium phenylphosphinate4297-95-438 % similar Sodium benzoate532-32-138 % similar Sodium benzenesulfinate873-55-238 % similar Sodium phenylacetate114-70-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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