sodium phenoxide
An aromatic compound, C6H5NaO, 116.095 g/mol. Melting point 384 °C, as published. Appears in 4 documented reactions.
Identifiers
- Molecular formula
- C₆H₅NaO
- Molecular weight
- 116.095 g/mol
- Exact mass
- 116.023809 g/mol
- IUPAC name
- sodium phenoxide
- [Na+].[O-]c1ccccc1
- InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
- NESLWCLHZZISNB-UHFFFAOYSA-M
Measured properties
- Melting Point
- 384 °C
- Solubility
- Very soluble in water
- Soluble in alcohol
- Soluble in acetone
- Vapor Pressure
- 0.00000003 [mmHg]
Calculated properties
- Molecular weight
- 116.09 g/mol
- Exact mass
- 116.02380906 Da
- Polar surface area
- 23.1 Ų
- Complexity
- 46
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- -2.2358
- Topological polar surface area
- 23.06 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 25.888 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.3515
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 8
- Total atoms, hydrogen included
- 13
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Aromatic ring
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
4 documented reactions involve sodium phenoxide, each with a written procedure and a source, and all of them are buchwald–hartwig amination. A few are shown.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Other names for it
The systematic name on this record is sodium phenoxide.
The sources also call it SODIUM PHENOLATE, Phenolate sodium, Sodium phenate, Sodium carbolate, Phenol sodium salt, Phenol sodium, Phenol, sodium salt (solid), sodium;phenoxide, Phenolate sodium [USAN], naoph, sodium benzenolate, Phenolate sodium (USAN).
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as sodium phenoxide. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,4-Dioxane
C₄H₈O₂, 88.106 g/mol.
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
C₃₉H₃₂OP₂, 578.632 g/mol.
(R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldi-t-butylphosphine;Ferrocene, 1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(dicyclohexylphosphino)-, (2R)-
C₃₂H₆₂FeP₂, 564.641 g/mol.
1,3-dimethyl-1H-pyrazol-4-amine
used as a reactant
C₅H₉N₃, 111.148 g/mol.
1,2-Dimethoxyethane
C₄H₁₀O₂, 90.122 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under S
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C6H5NaO in a calculation, with every element's contribution shown.
Molarity calculator
Grams of sodium phenoxide for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.