sulfuroyl chloride fluoride

• ChemBase ID: 129664
• Molecular Formular: ClFO2S
• Molecular Mass: 118.5152032
• Monoisotopic Mass: 117.92915614
• SMILES: ClS(=O)(=O)F
• Canonical SMILES: FS(=O)(=O)Cl
• InChI: InChI=1S/ClFO2S/c1-5(2,3)4
• InChIKey: IXPAAHZTOUOJJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfuroyl chloride fluoride
• IUPAC Traditional name: SO2ClF
• Synonyms: Sulfuryl fluoride chloride; Sulfuryl chloride fluoride; Sulfuryl chloride fluoride; 氯氟磺酰

Database IDs

• CAS Number: 13637-84-8
• EC Number: 237-126-2
• MDL Number: MFCD00011607
• PubChem SID: 162223953; 24867414
• PubChem CID: 26159
• CHEBI ID: 39445
• Chemspider ID: 24370
• Wikipedia Title: Sulfuryl_chloride_fluoride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.40165135
• LogD (pH = 7.4): 0.40165135
• Log P: 0.40165135
• Molar Refractivity: 16.2792 cm^3
• Polarizability: 7.1281295 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: hydrolyses in water; SO₂, ether, alcohol, HCl
• Apperance: colourless gas
• Melting Point: -124.7 °C
• Boiling Point: 7.1 °C
• Flash Point: 113 °C; 235.4 °F
• Density: 1.623 g/cm^3 at 0 °C

Safety Information

• RTECS: WT4900000
• European Hazard Symbols: Toxic (T)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 14-23/24/25-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• Main Hazard: toxic
• GHS Hazard statements: H301 + H311 + H331-H314
• GHS Precautionary statements: P261-P280-P301 + P310-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 2922 8/PG 1
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: -20°C

Product Information

• Purity: ≥90%
• Grade: technical grade
• Linear Formula: SO2ClF

DETAILS

Sigma Aldrich - 437999

Packaging
25 g in Sure-Pac™
Application
Used in the preparation of novel fluorinated alkanesulfonyloxaziridines,1 and in the alkoxylation of fullerene C60.2