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
| anion traces | chloride (Cl-): ≤100 mg/kg |
| sulfate (SO42-): ≤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 |
| functional group | phenyl |
| 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 |
| InChI key | WXMKPNITSTVMEF-UHFFFAOYSA |
| 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-Phenoxyeth • 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-a • 4-Pyrazolylmethylene-3- |
| 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 |