sodium bromate

• ChemBase ID: 129510
• Molecular Formular: BrNaO3
• Molecular Mass: 150.89197
• Monoisotopic Mass: 149.89285014
• SMILES: [Na+].[O-][Br](=O)=O
• Canonical SMILES: [O-][Br](=O)=O.[Na+]
• InChI: InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
• InChIKey: XUXNAKZDHHEHPC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium bromate
• IUPAC Traditional name: sodium bromate
• Synonyms: Sodium bromate; Sodium bromate(V); Bromic acid, sodium salt; Sodium bromate; 溴酸钠

Database IDs

• CAS Number: 7789-38-0
• EC Number: 232-160-4
• MDL Number: MFCD00003476
• Merck Index: 148593
• PubChem SID: 24853461; 24886168; 162223802; 24886169; 24845235
• PubChem CID: 23668195
• Chemspider ID: 23009
• Wikipedia Title: Sodium_bromate

CALCULATED PROPERTIES

• Acid pKa: -29.820747
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1853838
• LogD (pH = 7.4): -2.1853838
• Log P: 0.19101496
• Molar Refractivity: 13.0639 cm^3
• Polarizability: 5.874396 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 27.5 g/100 mL (0 °C) ; 36.4 g/100 g (20 °C) ; 48.8 g/100 mL (40 °C) ; 90.8 g/100 mL (100 °C) in water; insoluble in ethanol; Soluble in water (2.5 parts in cold water, 1.1 part in boiling water)
• Apperance: colorless or white solid; Crystalline
• Melting Point: 381°C; 381°C dec.
• Boiling Point: 1390°C
• Flash Point: 381 °C
• Density: 3.339 g/cm^3; 3.339 g/mL at 25 °C(lit.); 3.34
• Refractive Index: 1.594
• Odor: odorless
• pH: 5.0-9.0 (25 °C, 50 mg/mL in H2O)

Safety Information

• RTECS: EF8750000
• European Hazard Symbols: Oxidising (O); X; Harmful (Xn)
• UN Number: 1494; UN1494
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2; II
• Risk Statements: 8-22-36/37/38; 8-22-36/38; R8, R36, R37, R38
• Safety Statements: 17-26-36; 17-26-36/37-60; S26, S27, S36, S37, S39
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS03; GHS06; GHS07
• GHS Signal Word: Danger
• Main Hazard: Oxidizing agent
• NFPA704:
  

  0

  1

  0

  OX
• GHS Hazard statements: H272-H301-H315-H319; H272-H302-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338; P221-P210-P301+P310-P305+P351+P338-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1494 5.1/PG 2

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (RT); ≥99.5% (RT); 99.5% (metals basis)
• Grade: puriss. p.a.; purum p.a.; SAJ first grade
• Impurities: ≤0.001% total nitrogen (N); ≤0.005% heavy metals (as Pb)
• Cation Traces: Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; K: ≤200 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: bromide (Br-): ≤500 mg/kg; sulfate (SO42-): ≤1000 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Linear Formula: NaBrO3

DETAILS

Sigma Aldrich - 224871

Application
Useful oxidant for the transformation of tetrahydropyranyl ethers to carbonyl compounds.1
Packaging
100, 500 g in glass bottle

Sigma Aldrich - 71325

Other Notes
Cooxidant for a catalytic cerium(IV) oxidation procedure1,2