sodium hydrogen sulfite

• ChemBase ID: 103669
• Molecular Formular: HNaO3S
• Molecular Mass: 104.06091
• Monoisotopic Mass: 103.95440917
• SMILES: [Na+].OS(=O)[O-]
• Canonical SMILES: [O-]S(=O)O.[Na+]
• InChI: InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
• InChIKey: DWAQJAXMDSEUJJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrogen sulfite
• IUPAC Traditional name: sodium bisulfite; potassium bisulfite
• Synonyms: E222; Sodium bisulfite; Sodium hydrogensulfite; SODIUM BISULFITE, ACS; Sodium bisulfite; Sodium hydrogen sulfite; Sodium bisulfite solution; 酸式亚硫酸钠; 亚硫酸氢钠; 亚硫酸氢钠 溶液

Database IDs

• CAS Number: 7631-90-5
• EC Number: 231-548-0
• MDL Number: MFCD00003530
• PubChem SID: 24854644; 24848149; 162103093
• PubChem CID: 23665763
• CHEBI ID: 26709
• CHEMBL: 1689285
• Chemspider ID: 571016
• Wikipedia Title: Sodium_bisulfite

CALCULATED PROPERTIES

• Acid pKa: 1.69897
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4536884
• LogD (pH = 7.4): -3.810975
• Log P: -1.1546873
• Molar Refractivity: 11.2062 cm^3
• Polarizability: 5.44399 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 42 g/100 mL in water
• Apperance: White solid
• Melting Point: >300 °C; 150°C
• Flash Point: Non-flammable
• Density: 1.326 g/cm^3 at 20 °C; 1.48 g/cm^3
• Refractive Index: 1.526
• Vapor Pressure: 23.3 hPa at 20.1 °C
• Odor: slight sulfurous odor

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VZ2000000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2693; 3077
• German water hazard class: 1
• Hazard Class: 8; 9
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 22-31; 22-31-41; R:22-31-58; R22 R31
• Safety Statements: 25-46; 26-39; S:25-46-61; S2, S25, S46
• Emergency Response Guidebook(ERG) Number: 171
• EU Index: 016-064-00-8
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  2

  1
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2693 8/PG 3
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: ~40%; ≥58.5% (SO2); ≥58.5% SO2 basis; 64.0-67.4% SO2 basis
• Grade: ACS; ACS reagent; JIS special grade; purum; REAGENT; SAJ first grade
• Impurities: ≤0.005% insolubles
• Cation Traces: Fe: ≤0.002%; heavy metals (as Pb): ≤0.001%
• Antion Traces: chloride (Cl-): ≤0.02%
• Linear Formula: NaHSO3

DETAILS

MP Biomedicals - 02152573

ACS Reagent Grade
Assay (SO₂) ≥ 58.5% SO2
Note: This product is usually a mixture of sodium bisulfite and sodium metabisulfite

Sigma Aldrich - 243973

Components
Mixture of sodium bisulfite, NaHSO3 and sodium metabisulfite, Na2S2O5.
Packaging
100, 500 g in poly bottle
12 kg in poly drum
2.5 kg in poly bottle
5 g in glass bottle
5 g packaged in glass bottles; 12 kg packaged in open-head poly drums; 100 g, 500 g, 2.5 kg packaged in poly bottles