18106

Sodium benzoate

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

• Sinônimo(s): BENZOTRON, Benzoic acid sodium salt
• Fórmula linear: C₆H₅COONa
• Número CAS: 532-32-1
• Peso molecular: 144.10
• Beilstein: 3572467
• Número CE: 208-534-8
• Número MDL: MFCD00012463
• Código UNSPSC: 12352100
• eCl@ss: 39024301
• ID de substância PubChem: 329751625
• NACRES: NA.21

Propriedades

• grau: puriss.
• Nível de qualidade: 200
• Ensaio: 99.0-100.5% (calc. to the dried substance)
• Formulário: powder
• qualidade: meets analytical specification of Ph. Eur., BP, FCC, E211
• Impurezas: acidity or alkalinity, complies; oxidizable impurities, complies; residual solvents, complies; ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl)
• perda: ≤1% loss on drying, 105 °C
• pf: >300 °C (lit.)
• solubilidade: water: soluble 556 g/L
• traços de ânion: chloride (Cl^-): ≤100 mg/kg; sulfate (SO₄^2-): ≤100 mg/kg
• traços de cátion: As: ≤2 mg/kg; Cu: ≤10 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤10 mg/kg
• adequação: complies for appearance of solution
• grupo funcional: phenyl
• cadeia de caracteres 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
• chave InChI: WXMKPNITSTVMEF-UHFFFAOYSA-M

Descrição

Aplicação

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.

Informações legais

Informações de segurança

• Pictogramas: GHS07
• Palavra indicadora: Warning
• Frases de perigo: H319
• Declarações de precaução: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Classificações de perigo: Eye Irrit. 2
• Código de classe de armazenamento: 13 - Non Combustible Solids
• Classe de risco de água (WGK): WGK 1
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable
• Equipamento de proteção individual: Eyeshields, Gloves, type N95 (US)