18106

安息香酸ナトリウム

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

• 別名: BENZOTRON, 安息香酸 ナトリウム塩
• 化学式: C₆H₅COONa
• CAS番号: 532-32-1
• 分子量: 144.10
• Beilstein: 3572467
• EC Number: 208-534-8
• MDL番号: MFCD00012463
• UNSPSCコード: 12352100
• eCl@ss: 39024301
• PubChem Substance ID: 329751625
• NACRES: NA.21

特性

• グレード: puriss.
• 品質水準: 200
• アッセイ: 99.0-100.5% (calc. to the dried substance)
• 形状: powder
• 品質: meets analytical specification of Ph. Eur., BP, FCC, E211
• 不純物: acidity or alkalinity, complies; oxidizable impurities, complies; residual solvents, complies; ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl)
• 損失: ≤1% loss on drying, 105 °C
• mp: >300 °C (lit.)
• 溶解性: water: soluble 556 g/L
• 微量陰イオン: chloride (Cl^-): ≤100 mg/kg; sulfate (SO₄^2-): ≤100 mg/kg
• 微量陽イオン: As: ≤2 mg/kg; Cu: ≤10 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤10 mg/kg
• 適合性: complies for appearance of solution
• 官能基: phenyl
• SMILES記法: [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

詳細

アプリケーション

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.

法的情報

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H319
• 注意書き: P264 - P280 - P305 + P351 + P338 - P337 + P313
• 危険有害性の分類: Eye Irrit. 2
• 保管分類コード: 13 - Non Combustible Solids
• WGK: WGK 1
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable
• 個人用保護具 (PPE): Eyeshields, Gloves, type N95 (US)