sodium hydrogen sulfate

• ChemBase ID: 129509
• Molecular Formular: HNaO4S
• Molecular Mass: 120.06031
• Monoisotopic Mass: 119.94932379
• SMILES: [Na+].[O-]S(=O)(=O)O
• Canonical SMILES: [O-]S(=O)(=O)O.[Na+]
• InChI: InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: WBHQBSYUUJJSRZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrogen sulfate
• IUPAC Traditional name: sodium hydrogensulfate
• Synonyms: Sodium acid sulfate; Bisulfate of soda; Sodium bisulfate; Sodium bisulfate; Sodium hydrogen sulfate; Sodium hydrogen sulfate; Sodium bisulfate; 硫酸氢钠; 酸式硫酸钠; 酸式硫酸钠; 硫酸氢钠

Database IDs

• CAS Number: 7681-38-1
• EC Number: 231-665-7
• MDL Number: MFCD00003531
• PubChem SID: 162223801
• PubChem CID: 516919
• Chemspider ID: 56397
• Wikipedia Title: Sodium_bisulfate

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 12.6491 cm^3
• Polarizability: 6.158906 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 50 g/100 mL (0°C) ; 100 g/100 mL (100°C) in water; insoluble in ammonia; decomposed by alcohol
• Apperance: crystalline; white solid
• Melting Point: 58.5°C (monohydrate) ; 315°C (anhydrous)
• Boiling Point: decomposes to Na₂S₂O₇ (+ H₂O) at 315°C
• Flash Point: Non-flammable
• Density: 2.742 g/cm^3 (anhydrous) ; 1.8 g/cm^3 (monohydrate)
• pKa: 1.99

Safety Information

• RTECS: VZ1860000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 41; R34 R37 R41
• Safety Statements: 24-26; S26 S36 S37 S39 S45
• EU Index: Corrosive (C)
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• NFPA704:
  

  0

  2

  1
• GHS Hazard statements: H315-H318; H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~95.0%; ≥93%; 93.0-102.0% (T)
• Grade: purum; technical; technical grade
• Impurities: ≤6% Na2SO4
• Linear Formula: NaHSO4

DETAILS

Sigma Aldrich - 307823

Packaging
2.5 kg in poly bottle
25 g in glass bottle
20 kg in poly drum
500 g in poly bottle

Sigma Aldrich - 71656

Caution
may contain particles