18106

Natriumbenzoat

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

• Synonym(e): BENZOTRON, Benzoesäure Natriumsalz
• Lineare Formel: C₆H₅COONa
• CAS-Nummer: 532-32-1
• Molekulargewicht: 144.10
• Beilstein: 3572467
• EG-Nummer: 208-534-8
• MDL-Nummer: MFCD00012463
• UNSPSC-Code: 12352100
• eCl@ss: 39024301
• PubChem Substanz-ID: 329751625
• NACRES: NA.21

Eigenschaften

• Qualität: puriss.; meets analytical specification of Ph. Eur., BP, FCC, E211
• Qualitätsniveau: 200
• Assay: 99.0-100.5% (calc. to the dried substance)
• Form: powder
• Verunreinigungen: acidity or alkalinity, complies; oxidizable impurities, complies; residual solvents, complies; ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl)
• Verlust: ≤1% loss on drying, 105 °C
• mp (Schmelzpunkt): >300 °C (lit.)
• Löslichkeit: water: soluble 556 g/L
• Anionenspuren: chloride (Cl^-): ≤100 mg/kg; sulfate (SO₄^2-): ≤100 mg/kg
• Kationenspuren: As: ≤2 mg/kg; Cu: ≤10 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤10 mg/kg
• Eignung: complies for appearance of solution
• Funktionelle Gruppe: 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
• InChIKey: WXMKPNITSTVMEF-UHFFFAOYSA-M

Beschreibung

Anwendung

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.

Rechtliche Hinweise

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H319
• P-Sätze: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Gefahreneinstufungen: Eye Irrit. 2
• Lagerklassenschlüssel: 13 - Non Combustible Solids
• WGK: WGK 1
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type N95 (US)