chempirical

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
logP
1.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
139-02-6
SMILES
[O-]c1ccccc1.[Na+]
InChIKey
PYOZTOXFQNWBIS-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;

Weigh it out

Type any one amount. The others follow from the molar mass and density.

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

Similar compounds

Tetraphenylphosphonium phenoxide15464-47-857 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia