18106

Sodium benzoate

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

• Synonyme(s) : BENZOTRON, Benzoic acid sodium salt
• Formule linéaire : C₆H₅COONa
• Numéro CAS: 532-32-1
• Poids moléculaire : 144.10
• Numéro Beilstein : 3572467
• Numéro CE : 208-534-8
• Numéro MDL: MFCD00012463
• Code UNSPSC : 12352100
• eCl@ss : 39024301
• ID de substance PubChem : 329751625
• Nomenclature NACRES : NA.21

Propriétés

• Qualité: puriss.; meets analytical specification of Ph. Eur., BP, FCC, E211
• Niveau de qualité: 200
• Pureté: 99.0-100.5% (calc. to the dried substance)
• Forme: powder
• Impuretés: acidity or alkalinity, complies; oxidizable impurities, complies; residual solvents, complies; ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl)
• Perte: ≤1% loss on drying, 105 °C
• Pf: >300 °C (lit.)
• Solubilité: water: soluble 556 g/L
• Traces d'anions: chloride (Cl^-): ≤100 mg/kg; sulfate (SO₄^2-): ≤100 mg/kg
• Traces de cations: As: ≤2 mg/kg; Cu: ≤10 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤10 mg/kg
• Adéquation: complies for appearance of solution
• Groupe fonctionnel: phenyl
• Chaîne SMILES: [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
• Clé InChI: 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.

Informations légales

Informations sur la sécurité

• Pictogrammes: GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H319
• Conseils de prudence: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Classification des risques: Eye Irrit. 2
• Code de la classe de stockage: 13 - Non Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 1
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Équipement de protection individuelle: Eyeshields, Gloves, type N95 (US)