sulfonylideneoxidane

• ChemBase ID: 129661
• Molecular Formular: O3S
• Molecular Mass: 80.0632
• Monoisotopic Mass: 79.95681486
• SMILES: O=S(=O)=O
• Canonical SMILES: O=S(=O)=O
• InChI: InChI=1S/O3S/c1-4(2)3
• InChIKey: AKEJUJNQAAGONA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfonylideneoxidane
• IUPAC Systematic name: Sulfonylideneoxidane
• IUPAC Traditional name: sulfur trioxide
• Synonyms: Sulfan; Sulfuric anhydride; Sulfur trioxide; Sulfur trioxide; 硫酸酐; 三氧化硫

Database IDs

• CAS Number: 7446-11-9
• EC Number: 231-197-3
• MDL Number: MFCD00011452
• PubChem SID: 24853646; 162223950; 24866637
• PubChem CID: 24682
• CHEBI ID: 29384
• Chemspider ID: 23080
• Gmelin ID: 1448
• Wikipedia Title: Sulfur_trioxide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9011423
• LogD (pH = 7.4): -0.9011423
• Log P: -0.9011423
• Molar Refractivity: 10.0845 cm^3
• Polarizability: 5.1093903 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts to give Sulfuric Acid in water
• Melting Point: 16.8 °C(lit.); 16.9 °C, 290.1 K, 62.4 °F
• Boiling Point: 44.7 °C(lit.); 45°C
• Flash Point: Non-flammable
• Density: 1.92 g/cm^3, liquid; 1.97 g/mL at 25 °C(lit.)
• Vapor Pressure: 280 mmHg ( 25 °C)
• Vapor Density: 2.8 (vs air)
• Std enthalpy of formation: −397.77 kJ/mol
• Std molar entropy: 256.77 J K^−1 mol^−1

Safety Information

• RTECS: WT4830000
• European Hazard Symbols: Oxidising (O); Highly toxic (T+)
• UN Number: 1829; UN 1829
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 45-8-14-26-34; R14, R35, R37
• Safety Statements: 53-17-26-36/37/39-45; S1/2, S26, S30, S45, S53
• EU Index: 016-019-00-2
• GHS Pictograms: GHS03; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  3

  OX
• GHS Hazard statements: H271-H314-H330-H350
• GHS Precautionary statements: P201-P220-P260-P280-P284-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1829 8/PG 1

Product Information

• Purity: 99%
• Impurities: low-melting solid polymer(the formation of which is unavoidable)
• Contains: stabilizer
• Linear Formula: SO3

DETAILS

Sigma Aldrich - 425478

Packaging
1.5, 8 lb in ss cylinder
Legal Information
DuPont product

Sigma Aldrich - 227692

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
40 g in glass bottle