18106

Sodium benzoate

puriss., meets analytical specification of Ph. Eur., BP, FCC, E211, 99.0-100.5% (calc. to the dried substance), powder

• Synonym(s): BENZOTRON, Benzoic acid sodium salt
• Linear Formula: C₆H₅COONa
• CAS Number: 532-32-1
• Molecular Weight: 144.10
• Beilstein: 3572467
• EC Number: 208-534-8
• MDL number: MFCD00012463
• UNSPSC Code: 12352100
• eCl@ss: 39024301
• PubChem Substance ID: 329751625
• NACRES: NA.21

Properties

• grade: puriss.
• Quality Level: 200
• Assay: 99.0-100.5% (calc. to the dried substance)
• form: powder
• quality: meets analytical specification of Ph. Eur., BP, FCC, E211
• impurities: acidity or alkalinity, complies; oxidizable impurities, complies; residual solvents, complies; ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl)
• loss: ≤1% loss on drying, 105 °C
• mp: >300 °C (lit.)
• solubility: water: soluble 556 g/L
• anion traces: chloride (Cl^-): ≤100 mg/kg; sulfate (SO₄^2-): ≤100 mg/kg
• cation traces: As: ≤2 mg/kg; Cu: ≤10 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤10 mg/kg
• suitability: complies for appearance of solution
• functional group: phenyl
• SMILES string: [Na+].[O-]C(=O)c1ccccc1
• InChI: 1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
• InChI key: WXMKPNITSTVMEF-UHFFFAOYSA-M

Description

Application

Sodium benzoate can be used as areactant to synthesize:

• 2-Phenoxyethyl benzoate via phase-transfercatalyzed esterification with 2-phenoxyethyl bromide.
• Ynones by Pd free coupling reactionwith terminal alkynes in the presence of cyanuric chloride and magnesiumchloride.

It can also be used as a catalyst to synthesize:

• 3-Methyl-4-arylmethylene-isoxazol-5(4H)-onesby reacting ethyl acetoacetate, hydroxylamine hydrochloride, and aromaticaldehydes.
• 4-Pyrazolylmethylene-3-phenylisoxazol-5(4H)-onesvia three-component cyclocondensation of pyrazole-4-carbaxaldehyde withβ-ketoesters and hydroxylamine hydrochloride.

Legal Information

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H319
• Precautionary Statements: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves