18106

Sodium benzoate

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

• Synonim(y): BENZOTRON, Benzoic acid sodium salt
• Wzór liniowy: C₆H₅COONa
• Numer CAS: 532-32-1
• Masa cząsteczkowa: 144.10
• NACRES: NA.21
• PubChem Substance ID: 329751625
• eCl@ss: 39024301
• UNSPSC Code: 12352100
• EC Number: 208-534-8
• MDL number: MFCD00012463
• Beilstein/REAXYS Number: 3572467
• Assay: 99.0-100.5% (calc. to the dried substance)
• Form: powder
• Solubility: water: soluble 556 g/L

Właściwości

• Nazwa produktu: Sodium benzoate, puriss., meets analytical specification of Ph. Eur., BP, FCC, E211, 99.0-100.5% (calc. to the dried substance), powder
• grade: puriss.
• Quality Segment: 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

Opis

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.

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Informacja o środkach bezpieczeństwa

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Klasa składowania: 13 - Non Combustible Solids
• wgk: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)