sulfurous acid

• ChemBase ID: 129663
• Molecular Formular: H2O3S
• Molecular Mass: 82.07908
• Monoisotopic Mass: 81.97246492
• SMILES: O=S(O)O
• Canonical SMILES: OS(=O)O
• InChI: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
• InChIKey: LSNNMFCWUKXFEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfurous acid
• IUPAC Traditional name: sulfurous acid
• Synonyms: Sulfur dioxide solution; Sulfurous acid, ACS; Sulfurous acid; Sulfurous anhydride; Sulfur dioxide solution; Sulfurous acid; min; 亚硫酐; 亚硫酸; 二氧化硫 溶液

Database IDs

• CAS Number: 7782-99-2
• EC Number: 231-973-1
• MDL Number: MFCD00011335
• Merck Index: 148976
• PubChem SID: 24854878; 162223952
• PubChem CID: 1100
• CHEBI ID: 48854
• CHEMBL: 1161699
• Chemspider ID: 1069
• KEGG ID: C00094
• Unique Ingredient Identifier: J1P7893F4J
• Wikipedia Title: Sulfurous_acid

CALCULATED PROPERTIES

• Acid pKa: 1.69897
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4536884
• LogD (pH = 7.4): -3.810975
• Log P: -1.1546873
• Molar Refractivity: 12.3279 cm^3
• Polarizability: 5.564832 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: Non-flammable
• Density: 1.03 g/mL at 25 °C(lit.); 1.030
• Vapor Density: 2.3 (vs air)
• pKa: 1.857, 7.172

Safety Information

• Storage Warning: Air Sensitive
• RTECS: WT2775000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 1833; UN1833
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 20-34; 20-36/38; R20, R34
• Safety Statements: 26; 26-36/37/39-45; 9-20-23-26-36/37/39-45-60; S1/2, S9, S26, S36/37/39, S45
• TSCA Listed: 是
• EU Index: 016-011-00-9
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H332
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1833 8/PG 2

Product Information

• Purity: 6.0% SO
• Concentration: ≥6%; 4.5-5.5% in H2O; 5.0% SO2
• Grade: ACS reagent; puriss. p.a.; SAJ first grade
• Ignition Residue: ≤0.002%; ≤0.005%
• Cation Traces: Ag: ≤0.1 mg/kg; Al: ≤0.5 mg/kg; As: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.05 mg/kg; Cu: ≤0.05 mg/kg; Fe: ≤0.5 mg/kg; Fe: ≤5 ppm; heavy metals (as Pb): ≤2 ppm; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤1 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Antion Traces: chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤5 ppm
• Linear Formula: H2SO3

DETAILS

Sigma Aldrich - 247626

Packaging
100, 500 g in glass bottle
2 kg in glass bottle