Sodium benzoate

SIAL/18106 - puriss., meets analytical specification of Ph. Eur., BP, FCC, E211, 99.0-100.5% (calc. to the dried substance), powder

Synonym: BENZOTRON^™; Benzoic acid sodium salt

CAS Number: 532-32-1
Empirical Formula (Hill Notation): C₇H₅NaO₂
Molecular Weight: 144.10
EC Number: 208-534-8
MDL Number: MFCD00012463
Linear Formula: C₆H₅COONa
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-18106-1KG-R	1 kg	$53.80 1/EA	Add To Favorites
45-18106-6X1KG-R	1 kg	$217.00 6/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

anion traces	chloride (Cl^-): ≤100 mg/kg
	sulfate (SO₄^2-): ≤100 mg/kg
assay	99.0-100.5% (calc. to the dried substance)
cation traces	As: ≤2 mg/kg
	Cu: ≤10 mg/kg
	Hg: ≤1 mg/kg
	Pb: ≤2 mg/kg
	Zn: ≤10 mg/kg
form	powder
grade	puriss.
impurities	acidity or alkalinity, complies
	oxidizable impurities, complies
	residual solvents, complies
	≤0.001% heavy metals (as Pb)
	≤0.03% halogenated compounds (as Cl)
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
loss	≤1% loss on drying, 105 °C
mp	>300 °C (lit.)
quality	meets analytical specification of Ph. Eur., BP, FCC, E211
Quality Level	200
SMILES string	[Na+].[O-]C(=O)c1ccccc1
solubility	water: soluble 556 g/L
suitability	complies for appearance of solution

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.

Legal Information:

BENZOTRON is a trademark of Sigma-Aldrich Co. LLC

Symbol	GHS07
Signal word	Warning
Hazard statements	H319
Precautionary statements	P264 - P280 - P305 + P351 + P338 - P337 + P313
Hazard Codes	Xi
Risk Statements	36
Safety Statements	26
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	99.0-100.5% (calc. to the dried substance)
mp	>300 °C (lit.)
UNSPSC	12352100

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