(oxo-λ4-sulfanylidene)oxidane

• ChemBase ID: 129656
• Molecular Formular: O2S
• Molecular Mass: 64.0638
• Monoisotopic Mass: 63.96190024
• SMILES: O=S=O
• Canonical SMILES: O=S=O
• InChI: InChI=1S/O2S/c1-3-2
• InChIKey: RAHZWNYVWXNFOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxo-λ^4-sulfanylidene)oxidane
• IUPAC Traditional name: (oxo-λ^4-sulfanylidene)oxidane; sulfur dioxide
• Synonyms: Sulfurous anhydride; Sulfur(IV) oxide; Sulfur dioxide; Sulfur dioxide; 二氧化硫

Database IDs

• CAS Number: 7446-09-5
• EC Number: 231-195-2
• MDL Number: MFCD00011450
• Beilstein Number: 3535237
• PubChem SID: 162223945; 24857804; 24888250
• PubChem CID: 1119
• CHEBI ID: 18422
• CHEMBL: 1235997
• Chemspider ID: 1087
• Gmelin ID: 1443
• KEGG ID: D05961
• MeSH Name: Sulfur+dioxide
• Unique Ingredient Identifier: 0UZA3422Q4
• Wikipedia Title: Sulfur_dioxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3171668
• LogD (pH = 7.4): 0.3171668
• Log P: 0.3171668
• Molar Refractivity: 8.6416 cm^3
• Polarizability: 4.4994483 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 94 g dm^-3 in water
• Apperance: Colorless gas
• Melting Point: -72.15°C (201K); -73 °C(lit.)
• Boiling Point: -10 °C(lit.); -10°C
• Density: 1.25 g/mL at 25 °C(lit.); 2.6288 kg m^-3
• Vapor Pressure: 1779 mmHg ( 21 °C); 237.2 kPa
• Vapor Density: 2.26 (21 °C, vs air)
• pKa: 1.81
• pKb: 12.19
• Viscosity: 0.403 cP (at 0 °C)
• Std enthalpy of formation: -296.81 kJ mol^-1
• Std molar entropy: 248.223 J K^-1 mol^-1

Safety Information

• RTECS: WS4550000
• European Hazard Symbols: Toxic (T)
• UN Number: 1079; 1079, 2037; 2037
• German water hazard class: 1
• Hazard Class: 2.3
• Risk Statements: 23-34; R23, R34, R50
• Safety Statements: 9-26-36/37/39-45; S1/2, S9, S26, S36/37/39, S45
• EU Index: 016-011-00-9
• GHS Pictograms: GHS04; GHS05; GHS06
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  0
• LD50: 3000 ppm (30 min inhaled, mouse)
• GHS Hazard statements: H280-H314-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310-P410 + P403
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, Gloves, Goggles, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1079 2.3; UN 2037 2.3

Product Information

• Purity: ≥99.9%
• Grade: puriss.
• Impurities: ≤0.01% H2SO4; ≤0.02% water; ≤0.05% H2SO4; ≤50 ppm SO3
• Linear Formula: SO2

DETAILS

Sigma Aldrich - 295698

Packaging
454 g in steel cylinder
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.

Sigma Aldrich - 84693

Other Notes
Sales restrictions may apply
Packaging
Pressure tin with 100 mL (net ~128 g)

Sigma Aldrich - 84692

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~2.5 kg

Sigma Aldrich - 84694

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~6 kg